4CKX
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-08 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | F 2 3 |
Unit cell lengths | 125.610, 125.610, 125.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.210 - 2.600 |
R-factor | 0.14506 |
Rwork | 0.143 |
R-free | 0.19809 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y71 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.474 |
Data reduction software | XDS |
Data scaling software | SCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.520 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.090 | 0.400 |
Number of reflections | 5170 | |
<I/σ(I)> | 16.1 | 5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.9 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 26% PEG 8000, 0.2 M NA-K PHOSPHATE, 0.1 M TRIS-HCL PH 8.5 |