4FEH
Mycobacterium tuberculosis DprE1 - hexagonal crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-09 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 64 |
| Unit cell lengths | 127.880, 127.880, 64.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.339 - 2.035 |
| R-factor | 0.1921 |
| Rwork | 0.191 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Dpre1 - monoclinic crystal form |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.125 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.300 | 2.090 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.051 | 0.764 |
| Number of reflections | 38562 | |
| <I/σ(I)> | 21.4 | 2.3 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 5.6 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 288 | 0.1 M sodium cacodylate, 35% ethylene glycol, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
