4NCR
Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-04 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.053, 84.999, 81.372 |
| Unit cell angles | 90.00, 101.10, 90.00 |
Refinement procedure
| Resolution | 48.870 - 1.881 |
| R-factor | 0.18958 |
| Rwork | 0.187 |
| R-free | 0.23446 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fdp |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.254 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.872 | 2.000 |
| High resolution limit [Å] | 1.881 | 1.881 |
| Number of reflections | 77681 | |
| Completeness [%] | 95.3 | 84.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 36% PPG400, 0.1 M imidazole, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
