4TUV
X-ray crystal structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-chlorophenyl)imidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.127092 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 165.800, 165.800, 75.860 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.670 - 2.501 |
R-factor | 0.1903 |
Rwork | 0.188 |
R-free | 0.23910 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.212 |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 36.670 |
High resolution limit [Å] | 2.500 |
Number of reflections | 21711 |
<I/σ(I)> | 24.48 |
Completeness [%] | 99.9 |
Redundancy | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1.1-1.5M Ammonium sulfate, 80mM sodium acetate pH 4.5, 20mM sodium acetate pH 5.6, 20% glycerol, 340mM NaCl |