6HEZ
M tuberculosis DprE1 in complex with BTZ043
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-02 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.97631 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.540, 85.000, 80.500 |
| Unit cell angles | 90.00, 103.37, 90.00 |
Refinement procedure
| Resolution | 29.600 - 2.300 |
| R-factor | 0.20207 |
| Rwork | 0.200 |
| R-free | 0.24792 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fdp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.446 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.600 | 2.340 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.042 | 0.463 |
| Number of reflections | 46680 | |
| <I/σ(I)> | 14.5 | 2.3 |
| Completeness [%] | 99.0 | 98.6 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 24 - 34% w/v polypropylene glycol 400, 100 mM imidazole |
