4TRM
Structure of the apo form of InhA from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.096, 81.787, 187.242 |
| Unit cell angles | 90.00, 95.62, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.800 |
| R-factor | 0.19035 |
| Rwork | 0.189 |
| R-free | 0.21905 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2b35 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.747 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUSTER-TNT |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.980 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.509 | |
| Number of reflections | 136543 | |
| <I/σ(I)> | 12.55 | 1.49 |
| Completeness [%] | 98.0 | 89 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30 % (W/V) PEG 400 0.1 M sodium acetate 0.1 M Na-MES |
