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 |