5CXG
Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 126.030, 38.380, 154.718 |
Unit cell angles | 90.00, 111.69, 90.00 |
Refinement procedure
Resolution | 37.409 - 2.100 |
R-factor | 0.2122 |
Rwork | 0.210 |
R-free | 0.25810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mnl |
RMSD bond length | 0.012 |
RMSD bond angle | 0.655 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2006: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.410 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.707 | |
Number of reflections | 40309 | |
<I/σ(I)> | 4.6 | 1.4 |
Completeness [%] | 98.5 | 94.6 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 8% PEG 3350, 25% PEG 400, 0.1 M magnesium chloride, 0.1 M Tris-HCl pH 8.5 |