scholarly journals Purification and X-ray crystallographic analysis of 7-keto-8-aminopelargonic acid (KAPA) synthase fromMycobacterium smegmatis

2014 ◽  
Vol 70 (10) ◽  
pp. 1372-1375 ◽  
Author(s):  
Shanghua Fan ◽  
Defeng Li ◽  
Joy Fleming ◽  
Yuan Hong ◽  
Tao Chen ◽  
...  
Keyword(s):  
Crystallographic Analysis ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Essential Enzyme ◽  
Mycobacterial Growth

7-Keto-8-aminopelargonic acid synthase (KAPA synthase; BioF) is an essential enzyme for mycobacterial growth that catalyses the first committed step in the biotin-synthesis pathway. It is a pyridoxal 5′-phosphate (PLP)-dependent enzyme and is a potential drug target. Here, the cloning, expression, purification and crystallization of KAPA synthase fromMycobacterium smegmatis(MsBioF) and the characterization of MsBioF crystals using X-ray diffraction are described. The crystals diffracted to 2.3 Å resolution and belonged to the monoclinic space groupP21, with unit-cell parametersa= 70.88,b= 91.68,c= 109.84 Å, β = 97.8°. According to the molecular weight of MsBioF, the unit-cell parameters and the self-rotation function map, four molecules are present in each asymmetric unit with aVMvalue of 2.06 Å3 Da−1and a solvent content of 40.20%.

scholarly journals Chemical Preparation, Crystal Structure Reinvestigation and Vibrational Study of CoNa3P3O10.12H2O and X-ray Characterization of the New Anhydrous Triphosphate CoNa3P3O10

2021 ◽  
Vol 12 (2) ◽  
pp. 2586-2602
Keyword(s):  
Ion Exchange Resin ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Compound A ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The triphosphate dodecahydrate of cobalt and sodium CoNa3P3O10.12H2O was prepared by the ion exchange resin process. Its structure was studied by X-ray diffraction and determined in the monoclinic space group P121/c1with the unit-cell parameters a = 14.6650(5) Å, b=9.1916(3) Å, c = 15.0239(5) Å, =90.2210(10) °, Z = 4 and V = 2025.13(12) Å3. The thermal dehydration of this compound was performed, leading to an anhydrous new form, CoNa3P3O10, which was characterized by X-ray diffraction. The obtained CoNa3P3O10 crystallized in monoclinic space group P21/n with the unit-cell parameters a=15,3774 Å, b=7,6988 A°, c=14,2832A°, β=92,9115°.The characteristic IR wavenumbers of the P3O105− ions observed in the vibrational spectra were calculated using isotopic substitutions, which confirms the existence of these groups in the studied compound. A comparison between the IR and Raman wavenumbers of CoNa3P3O10.12H2O, CoNa3P3O10 and Na5P3O10.12H2O was performed. A kinetic study was also made for CoNa3P3O10·12H2O.

scholarly journals Crystallization and preliminary X-ray diffraction studies of guanidinoacetate methyltransferase from rat liver

1999 ◽  
Vol 55 (11) ◽  
pp. 1928-1929 ◽  
Author(s):  
Junichi Komoto ◽  
Yafei Huang ◽  
Yongbo Hu ◽  
Yoshimi Takata ◽  
Kiyoshi Konishi ◽  
...  
Keyword(s):  
Rat Liver ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Guanidinoacetate methyltransferase is the enzyme which catalyzes the last step of creatine biosynthesis. The enzyme is found ubiquitously and in abundance in the livers of all vertebrates. Recombinant rat-liver guanidinoacetate methyltransferase has been crystallized with guanidinoacetate and S-adenosylhomocysteine. The crystals belong to the monoclinic space group P21, with unit-cell parameters a = 54.8, b = 162.5, c = 56.1 Å, β = 96.8 (1)° at 93 K, and typically diffract beyond 2.8 Å.

Molecular and crystal structure of a copper(II) complex of sildenafil

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Akhmatkhodja N. Yunuskhodjayev ◽  
Shokhista F. Iskandarova ◽  
Vahobjon Kh. Sabirov
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Piperazine Ring ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl3C22H31N6O4S⋅2H2O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å3, Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

scholarly journals Crystallization and preliminary X-ray diffraction analysis of the BRPF1 bromodomain in complex with its H2AK5ac and H4K12ac histone-peptide ligands

2014 ◽  
Vol 70 (10) ◽  
pp. 1389-1393 ◽  
Author(s):  
Mulu Y. Lubula ◽  
Amanda Poplawaski ◽  
Karen C. Glass
Keyword(s):  
Diffraction Analysis ◽  
National Laboratory ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Direct Role ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The bromodomain-PHD finger protein 1 (BRPF1) is an essential subunit of the monocytic leukemia zinc (MOZ) histone acetyltransferase (HAT) complex and is required for complex formation and enzymatic activation. BRPF1 contains a structurally conserved bromodomain, which recognizes specific acetyllysine residues on histone proteins. The MOZ HAT plays a direct role in hematopoiesis, and deregulation of its activity is linked to the development of acute myeloid leukemia. However, the molecular mechanism of histone-ligand recognition by the BRPF1 bromodomain is currently unknown. The 117-amino-acid BRPF1 bromodomain was overexpressed inEscherichia coliand purified to homogeneity. Crystallization experiments of the BRPF1 bromodomain in complex with its H4K12ac and H2AK5ac histone ligands yielded crystals that were suitable for high-resolution X-ray diffraction analysis. The BRPF1 bromodomain–H4K12ac crystals belonged to the tetragonal space groupP43212, with unit-cell parametersa= 75.1,b= 75.1,c= 86.3 Å, and diffracted to a resolution of 1.94 Å. The BRPF1 bromodomain–H2AK5ac crystals grew in the monoclinic space groupP21, with unit-cell parametersa= 60.9,b= 55.6,c= 82.1 Å, β = 93.6°, and diffracted to a resolution of 1.80 Å. Complete data sets were collected from both crystal forms using synchrotron radiation on beamline X29 at Brookhaven National Laboratory (BNL).

Synthesis and X-ray diffraction data of dichlorodioxido (4,4-dimethoxycarbonyl-2,2′-bipyridyl) molybdenum(VI)

2013 ◽  
Vol 29 (1) ◽  
pp. 42-45 ◽  
Author(s):  
H.A. Camargo ◽  
N.J. Castellanos ◽  
C.C. Rosas ◽  
J.A. Henao
Keyword(s):  
Unit Cell ◽  
Monoclinic Space Group ◽  
Crystalline Compound ◽  
X Ray Diffraction ◽  
Molybdenum Complex ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Green Solution ◽  
Xrpd Pattern

The dichlorodioxido(4,4′-dimethoxycarbonyl-2,2′-bipyridyl)molybdenum(VI) complex was prepared from molybdenum(VI) dichloride dioxide and 4,4-dimethoxycarbonyl-2,2-bipyridyl in CH2Cl2 obtaining a clear green solution. The molybdenum complex was separated by precipitation with ethyl ether. The XRPD pattern for the new compound showed that the crystalline compound belongs to the monoclinic space group P21/c (No 14) with refined unit-cell parameters a = 12.104(1) Å, b = 14.933 (2) Å, c = 11.010 (2) Å and ß = 115.409° (9). The volume of the unit cell is V = 1797.6 (3) Å3.

scholarly journals Synthesis, Crystal Structures and Characterization of Two Nonmetal Cation Tetrafluoroborates

Crystals ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 812
Author(s):  
Noura Othman Alzamil ◽  
Ghareeba Mussad Al-Enzi ◽  
Aishah Hassan Alamri ◽  
Insaf Abdi ◽  
Amor BenAli
Keyword(s):  
Thermal Analysis ◽  
Hydrofluoric Acid ◽  
Cell Parameter ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Microwave Assisted

Two new nonmetal cation tetrafluoroborate phases [H3tren](BF4)3 (I) and [H3tren](BF4)3 HF (II) were synthesized by microwave-assisted solvothermal and characterized by single crystal X-ray diffraction, IR spectroscopy and thermal analysis DTA-TGA. [H3tren](BF4)3 is cubic (P213) with unit cell parameter a = 11.688(1) Å. [H3tren](BF4)3•HF is trigonal (R3c) with unit cell parameters a = 15.297(6) Å and c = 12.007(2) Å. Both (I) and (II) structures can be described from isolated tetrafluoroborate BF4- anions, triprotonated tris-(2-aminoethyl)amine (tren) [H3tren]3+. Phase (II) contains disordered BF4- tetrahedron and hydrofluoric acid.

Synthesis and Characterization of A2CaCuO5(A=Nd, Sm)

1998 ◽  
Vol 12 (11) ◽  
pp. 427-431
Author(s):  
K. Jeyabalan ◽  
L. K. Kaliyaperumal ◽  
A. Sekar ◽  
J. Srinivas
Keyword(s):  
Diffraction Analysis ◽  
Unit Cell ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Cell Parameters

Synthesis and characterization of A 2 CaCuO 5( A=Nd, Sm ) system is reported. Powder X-ray diffraction analysis shows that the compounds crystallizes in an orthorhombic crystal systems and the unit cell parameters are found to be a=6.399(9)Å, b=7.218(8) Å and c=12.167(17) Å for Nd 2 CaCuO 5 and a=5.872(8) Å, b=7.457(3) Å and c=12.682(18) Å for Sm 2 CaCuO 5.

scholarly journals Purification, crystallization and preliminary X-ray characterization ofBacillus cereusarylamineN-acetyltransferase 3 [(BACCR)NAT3]

2012 ◽  
Vol 68 (2) ◽  
pp. 196-198 ◽  
Author(s):  
Xavier Kubiak ◽  
Benjamin Pluvinage ◽  
Inès Li de la Sierra-Gallay ◽  
Patrick Weber ◽  
Ahmed Haouz ◽  
...  
Keyword(s):  
Bacillus Cereus ◽  
Catalytic Triad ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Metabolizing Enzymes ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

ArylamineN-acetyltransferases (NATs) are xenobiotic metabolizing enzymes (XMEs) that catalyze the acetylation of arylamines. All functional NATs described to date possess a strictly conserved Cys-His-Asp catalytic triad. Here, the purification, crystallization and preliminary X-ray characterization ofBacillus cereusarylamineN-acetyltransferase 3 [(BACCR)NAT3], a putative NAT isoenzyme that possesses a unique catalytic triad containing a glutamate residue, is reported. The crystal diffracted to 2.42 Å resolution and belonged to the monoclinic space groupC121, with unit-cell parametersa= 90.44,b= 44.52,c = 132.98 Å, β = 103.8°.

scholarly journals Synthesis, structural and spectroscopic characterization of thallium(I) acesulfamate

2015 ◽  
Vol 34 (1) ◽  
pp. 95 ◽  
Author(s):  
Enrique J. Baran ◽  
Beatriz S. Parajón-Costa ◽  
Gustavo A. Echeverría ◽  
Oscar E. Piro
Keyword(s):  
Crystal And Molecular Structure ◽  
Spectroscopic Characterization ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Sodium Potassium ◽  
X Ray ◽  
Cell Parameters ◽  
Cesium Salts

<p><strong>SYNTHESIS, STRUCTURAL AND SPECTROSCOPIC CHARACTERIZATION OF THALLIUM(I) ACESULFAMATE</strong></p><p><strong> </strong></p><p>     The new acesulfamate salt, TlC<sub>4</sub>H<sub>4</sub>NO<sub>4</sub>S, was prepared by reaction of acesulfamic acid and thallium(I) carbonate in aqueous solution.  Its crystal and molecular structure was determined by single crystal X-ray diffraction methods. The substance crystallizes in the monoclinic space group <em>P2<sub>1</sub>/a</em>, with unit cell parameters <em>a </em>= 7.5844(4) Å, <em>b</em> = 9.7268(5) Å, <em>c</em> = 10.8105(5) Å, <em>β</em> = 105.174(6)°, and <em>Z</em>=4 molecules per unit cell, and is isostructural with the corresponding sodium, potassium, rubidium and cesium salts. The FTIR and Raman spectra of the compound are also recorded and briefly discussed.</p>

Powder X-ray diffraction structural characterization of the coordination complex cis-[Co(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2]

2018 ◽  
Vol 33 (1) ◽  
pp. 55-61 ◽  
Author(s):  
José A. Fernandes ◽  
Olufunso Abosede ◽  
Simona Galli
Keyword(s):  
Unit Cell Volume ◽  
Unit Cell ◽  
Developmental Studies ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Neutral Compound

The reduction of cis-[CoIII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2]Cl into the neutral compound cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2] was observed during developmental studies of new antimalarial drugs. The crystal structure of cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2] was unveiled by powder X-ray diffraction studies (PXRD). PXRD details, unit cell parameters, and space group for cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2], C24H12Cl2CoN4O4, are reported [a = 41.4951 (13) Å, b = 8.2768 (2) Å, c = 12.4994 (3) Å, unit cell volume V = 4292.9 (2) Å3, Z = 8, and space group Fdd2]. Infrared spectroscopy features are also discussed.

Sign in / Sign up

Export Citation Format

Share Document