4BQR
Mtb InhA complex with Methyl-thiazole compound 11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-02 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.190, 112.664, 68.023 |
| Unit cell angles | 90.00, 97.67, 90.00 |
Refinement procedure
| Resolution | 67.410 - 2.050 |
| R-factor | 0.19002 |
| Rwork | 0.188 |
| R-free | 0.23209 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.520 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 112.000 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.050 | 0.360 |
| Number of reflections | 60620 | |
| <I/σ(I)> | 14.3 | 2.9 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 3.43 | 3.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
