4C6X
Crystal structure of M. tuberculosis C171Q KasA in complex with thiolactomycin (TLM)
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 | 2012-09-13 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.298, 89.323, 183.005 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.500 - 1.950 |
R-factor | 0.13993 |
Rwork | 0.138 |
R-free | 0.17336 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wgg |
RMSD bond length | 0.014 |
RMSD bond angle | 1.635 |
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] | 48.450 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.080 | 0.410 |
Number of reflections | 87684 | |
<I/σ(I)> | 15.6 | 3.7 |
Completeness [%] | 98.3 | 97 |
Redundancy | 4.2 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M HEPES PH 7.5, 30% PEG 400 |