4C6X
Crystal structure of M. tuberculosis C171Q KasA in complex with thiolactomycin (TLM)
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 | CCD |
| Collection date | 2012-09-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.298, 89.323, 183.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.500 - 1.950 |
| R-factor | 0.13993 |
| Rwork | 0.138 |
| R-free | 0.17336 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wgg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.635 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.450 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.080 | 0.410 |
| Number of reflections | 87684 | |
| <I/σ(I)> | 15.6 | 3.7 |
| Completeness [%] | 98.3 | 97 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M HEPES PH 7.5, 30% PEG 400 |
