4C6Z
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM3
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 | 74.700, 89.340, 183.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.740 - 1.800 |
| R-factor | 0.16223 |
| Rwork | 0.160 |
| R-free | 0.19622 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wgg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.641 |
| 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] | 36.070 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.510 |
| Number of reflections | 114325 | |
| <I/σ(I)> | 9.1 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 20% PEG 3350, pH 9.5 |
