4BGI
Crystal structure of InhA(S94A) mutant in complex with OH-141
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.442, 82.450, 189.645 |
| Unit cell angles | 90.00, 95.63, 90.00 |
Refinement procedure
| Resolution | 30.600 - 2.090 |
| R-factor | 0.2121 |
| Rwork | 0.211 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dti |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.220 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.010 | 0.050 |
| Number of reflections | 171328 | |
| <I/σ(I)> | 8.3 | 2.3 |
| Completeness [%] | 96.6 | 91.3 |
| Redundancy | 2.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
