4P8K
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty38c
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 | 2013-06-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.784, 82.882, 80.538 |
| Unit cell angles | 90.00, 103.00, 90.00 |
Refinement procedure
| Resolution | 42.100 - 2.490 |
| R-factor | 0.22361 |
| Rwork | 0.221 |
| R-free | 0.26531 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.018 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.100 | 2.640 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Number of reflections | 65588 | |
| <I/σ(I)> | 12.5 | 3.09 |
| Completeness [%] | 96.3 | 89.9 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 36% polypropyleneglycol 400, 100 mM imidazole |
