4C6V
Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min)
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 | 2012-09-23 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 77.230, 77.230, 146.851 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.880 - 2.700 |
| R-factor | 0.17969 |
| Rwork | 0.176 |
| R-free | 0.24217 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wge |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.662 |
| 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] | 49.440 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.140 | 0.580 |
| Number of reflections | 14534 | |
| <I/σ(I)> | 9.2 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 10% PEG 3350, 0.2 M K/NA-TARTRATE, 1.5 MM TCEP, pH 9.5 |
