4ICT
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID13 |
| Synchrotron site | ESRF |
| Beamline | ID13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-31 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.808, 77.808, 264.085 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.460 - 1.800 |
| R-factor | 0.18016 |
| Rwork | 0.178 |
| R-free | 0.22846 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.196 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | FFT |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 67.420 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.152 |
| Number of reflections | 44879 |
| Completeness [%] | 99.8 |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
