4C70
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM4
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 | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.450, 89.470, 183.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.650 - 1.750 |
| R-factor | 0.1408 |
| Rwork | 0.140 |
| R-free | 0.16560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wgg |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.855 |
| 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] | 33.780 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.080 | 0.470 |
| Number of reflections | 123806 | |
| <I/σ(I)> | 11.3 | 2.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M NACL, 0.1 M HEPES PH 7.5, 13% ISOPROPANOL |
