4C72
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.310, 89.100, 183.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.800 - 1.500 |
| R-factor | 0.13731 |
| Rwork | 0.136 |
| R-free | 0.15590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wgg |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.776 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.530 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | 0.440 |
| Number of reflections | 194886 | |
| <I/σ(I)> | 11.1 | 2.6 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 0.2 M KSCN, 15% PEG 3350, pH 9.5 |
