4GQU
Crystal structure of HisB from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-07-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 112.539, 112.539, 112.539 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.590 - 2.020 |
| R-factor | 0.19738 |
| Rwork | 0.195 |
| R-free | 0.23957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f1d |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.997 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.115 | 0.710 |
| Number of reflections | 16296 | |
| <I/σ(I)> | 3.2 | |
| Completeness [%] | 95.0 | 65.8 |
| Redundancy | 9.6 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG1500, 0.2M sodium citrate tribasic dehydrate, 0.1M Tris HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
