4C73
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM6
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 | 2012-06-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.470, 89.130, 183.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.890 - 1.800 |
| R-factor | 0.14611 |
| Rwork | 0.145 |
| R-free | 0.17311 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wgg |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.730 |
| 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] | 36.040 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.590 |
| Number of reflections | 113933 | |
| <I/σ(I)> | 10.2 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M TRIS PH 7.5, 15% PEG 6000 |
