4C6U
Crystal structure of M. tuberculosis KasA in complex with TLM5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 77.582, 77.582, 147.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 67.190 - 2.400 |
| R-factor | 0.16656 |
| Rwork | 0.164 |
| R-free | 0.21639 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wge |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.523 |
| 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] | 49.220 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.600 |
| Number of reflections | 20763 | |
| <I/σ(I)> | 13.9 | 2.7 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 7.1 | 6 |
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 |
