4P8P
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127
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 | 2013-12-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.619, 83.958, 80.874 |
| Unit cell angles | 90.00, 103.25, 90.00 |
Refinement procedure
| Resolution | 49.200 - 2.200 |
| R-factor | 0.19714 |
| Rwork | 0.195 |
| R-free | 0.23362 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.181 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 2.340 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 97511 | |
| <I/σ(I)> | 16.8 | 3.04 |
| Completeness [%] | 96.8 | 93.4 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 291 | POLYPROPYLENE GLYCOL 400, 100 mM imidazole |
