4C71
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18
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 | 2012-09-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.320, 88.870, 184.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.150 - 1.800 |
| R-factor | 0.14073 |
| Rwork | 0.139 |
| R-free | 0.16796 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wgg |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.708 |
| 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] | 33.710 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.110 | 0.610 |
| Number of reflections | 113762 | |
| <I/σ(I)> | 10 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 0.1 M MG-FORMATE, 15% PEG 3350, pH 9.5 |
