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 |
