6KHH
Crystal Structure of HisB from Mycobacterium tuberculosis
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 | 2017-04-21 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 112.567, 112.567, 112.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.960 - 1.650 |
| R-factor | 0.1859 |
| Rwork | 0.185 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gqu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.771 |
| 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 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.782 | |
| Number of reflections | 29997 | 2910 |
| <I/σ(I)> | 27.02 | 2.13 |
| Completeness [%] | 99.8 | |
| Redundancy | 31.4 | |
| CC(1/2) | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 1500, sodium citrate tribasic dehydrate, tris HCl |
