3CXX
Crystal structure of cytochrome P450 CYP121 F338H from M. tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| 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 | 77.226, 77.226, 263.253 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.820 - 1.900 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.21746 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1n40 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.595 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.2.0005) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 66.000 |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.082 |
| Number of reflections | 35865 |
| 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 |
