4FDO
Mycobacterium tuberculosis DprE1 in complex with CT319
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-21 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 64 |
| Unit cell lengths | 127.884, 127.884, 64.177 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.860 - 2.403 |
| R-factor | 0.1692 |
| Rwork | 0.167 |
| R-free | 0.20480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DprE1 - monoclinic crystal form |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.138 |
| 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] | 45.250 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.088 | 0.338 |
| Number of reflections | 23613 | |
| <I/σ(I)> | 16 | 4.8 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 7.3 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 288 | 0.1 M sodium cacodylate, 36% ethylene glycol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
