4FDP
Mycobacterium tuberculosis DprE1 - monoclinic 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 | PILATUS 2M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.970, 83.620, 81.370 |
| Unit cell angles | 90.00, 103.91, 90.00 |
Refinement procedure
| Resolution | 78.984 - 2.230 |
| R-factor | 0.1927 |
| Rwork | 0.191 |
| R-free | 0.23510 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.148 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.600 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.053 | 0.594 |
| <I/σ(I)> | 14.8 | 2.3 |
| Completeness [%] | 98.4 | 97.2 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 288 | 0.2 M imidazole, 34% polypropylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
