4FF6
Mycobacterium tuberculosis DprE1 in complex with CT325 - monoclinic crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-13 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.260, 84.530, 80.850 |
| Unit cell angles | 90.00, 103.54, 90.00 |
Refinement procedure
| Resolution | 29.926 - 2.600 |
| R-factor | 0.1959 |
| Rwork | 0.193 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fdp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.278 |
| 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] | 29.926 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.077 | 0.580 |
| Number of reflections | 31582 | |
| <I/σ(I)> | 26.6 | 3.6 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 9.8 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.2 M imidazole, 31% v/v polypropylene glycol, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
