4WXD
Crystal structure of Mycobacterium tuberculosis OGT-R37K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.096, 81.879, 38.271 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.600 - 2.300 |
R-factor | 0.1863 |
Rwork | 0.184 |
R-free | 0.22570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bhb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.044 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1690)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.600 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.039 | 0.174 |
Number of reflections | 8668 | |
<I/σ(I)> | 26.7 | 8.7 |
Completeness [%] | 99.5 | |
Redundancy | 5.9 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 0.1M Hepes, 4% PEG8000, 4% ethylene glycol |