4CKX
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 2)
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 | F 2 3 |
| Unit cell lengths | 125.610, 125.610, 125.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.210 - 2.600 |
| R-factor | 0.14506 |
| Rwork | 0.143 |
| R-free | 0.19809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y71 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.474 |
| Data reduction software | XDS |
| Data scaling software | SCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.520 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.090 | 0.400 |
| Number of reflections | 5170 | |
| <I/σ(I)> | 16.1 | 5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 26% PEG 8000, 0.2 M NA-K PHOSPHATE, 0.1 M TRIS-HCL PH 8.5 |
