6YUU
Crystal structure of M. tuberculosis InhA inhibited by SKTS1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 95.524, 95.524, 128.369 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.700 - 2.010 |
R-factor | 0.13938 |
Rwork | 0.137 |
R-free | 0.17798 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x23 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.705 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.760 | 2.120 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.177 | 1.095 |
Rpim | 0.041 | 0.254 |
Number of reflections | 23730 | 3383 |
<I/σ(I)> | 15.5 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 100 mM Tris, pH 8.4 3 M NaCl |