3CY1
Crystal structure of the cytochrome P450 CYP121 S279A mutant from M. tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.96 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.670, 77.670, 263.503 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.020 - 1.750 |
| R-factor | 0.18591 |
| Rwork | 0.185 |
| R-free | 0.21096 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1n40 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.477 |
| 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] | 30.000 |
| High resolution limit [Å] | 1.750 |
| Number of reflections | 42788 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 2 M ammonium sulphate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
