5EDT
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-15 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 77.000, 77.000, 263.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.100 - 2.450 |
| R-factor | 0.19029 |
| Rwork | 0.187 |
| R-free | 0.24349 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ktf |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.258 |
| Data scaling software | XPREP |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 7.100 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 18202 | |
| <I/σ(I)> | 16 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 32 | 9.77 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 2M AMMONIUM SULFATE, 0.1M SODIUM CACODYLATE |
