4AUT
Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.139, 64.139, 191.204 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.730 - 2.100 |
| R-factor | 0.20589 |
| Rwork | 0.202 |
| R-free | 0.27104 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w1o |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.939 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 60.000 |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.060 |
| Number of reflections | 27565 |
| <I/σ(I)> | 14.7 |
| Completeness [%] | 99.9 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 30% PEG 4000, 100 MM SODIUM CITRATE PH 5.6, 200 MM SODIUM ACETATE |
