4CKW
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.386, 94.294, 61.354 |
| Unit cell angles | 90.00, 97.28, 90.00 |
Refinement procedure
| Resolution | 60.860 - 2.700 |
| R-factor | 0.20525 |
| Rwork | 0.200 |
| R-free | 0.30452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y71 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.182 |
| Data reduction software | XDS |
| Data scaling software | SCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.290 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.100 | 0.370 |
| Number of reflections | 11546 | |
| <I/σ(I)> | 10.8 | 3.6 |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 12% GLYCEROL, 1.5 M AMMONIUM SULPHATE, 0.1 M TRIS-HCL PH 8.5 |
