6YJH
Crystal structure of Imidazole Glycerol Phosphate Dehydratase from Mycobacterium tuberculosis at 1.61 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.8 |
Spacegroup name | P 4 3 2 |
Unit cell lengths | 112.130, 112.130, 112.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.970 - 1.610 |
R-factor | 0.1524 |
Rwork | 0.151 |
R-free | 0.17480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gqu |
RMSD bond length | 0.014 |
RMSD bond angle | 1.795 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.700 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.099 | 0.380 |
Rmeas | 0.100 | 0.428 |
Number of reflections | 31512 | 4235 |
<I/σ(I)> | 5.9569 | |
Completeness [%] | 99.1 | 93.86 |
Redundancy | 27.56 | 4.44 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 293 | 30% PEG1500, 0.2 M sodium citrate tribasic dehydrate, 0.1 M Tris pH 7.5, 5 mM MnCl2, 0.04% NaN3 |