2B35
Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by triclosan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.955, 81.827, 188.656 |
| Unit cell angles | 90.00, 95.69, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.300 |
| R-factor | 0.268 |
| Rwork | 0.268 |
| R-free | 0.33400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.473 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 55089 | |
| Completeness [%] | 87.0 | 82.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 295 | PEG 4000, DMSO, ammonium acetate, NAD+, ADA, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
