4IQ9
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.647, 77.647, 263.569 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.490 - 1.400 |
| R-factor | 0.1584 |
| Rwork | 0.158 |
| R-free | 0.17940 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | FFT |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.000 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.092 | 0.346 |
| Number of reflections | 93373 | |
| Completeness [%] | 99.8 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | ammonium sulfate 2.2 M, NaMes 0.1 M, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
