3CXZ
Crystal structure of cytochrome P450 CYP121 R386L mutant from M. tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-05 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.96 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 77.438, 77.438, 264.275 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.930 - 1.080 |
R-factor | 0.14711 |
Rwork | 0.146 |
R-free | 0.16855 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1n40 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.411 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.2.0005) |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 1.080 |
Rmerge | 0.087 |
Number of reflections | 174111 |
Completeness [%] | 100.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 278 | 2 M ammonium sulphate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 278K |