5ZQN
Crystal structure of Mycobacterium tuberculosis HisB in complex with a ligand
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 | 2017-04-25 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 112.715, 112.715, 112.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.200 - 1.800 |
| Rwork | 0.155 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lom |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.709 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.101 | |
| Number of reflections | 23350 | |
| <I/σ(I)> | 21.08 | 2.39 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.7 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 1500, sodium citrate tribasic dehydrate, tris HCl |
