5XDS
Crystal structure of Mycobacterium tuberculosis HisB bound with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-07-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 112.530, 112.530, 112.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.15038 |
| Rwork | 0.149 |
| R-free | 0.18168 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gqu |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.176 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.105 | 0.769 |
| Rpim | 0.019 | |
| Number of reflections | 25229 | 2468 |
| <I/σ(I)> | 43.48 | 2.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 27.9 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | PEG 1500, sodium citrate tribasic dehydrate, tris HCl |
