3ZXQ
CRYSTAL STRUCTURE OF THE ATP-BINDING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS DOST
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6B |
Synchrotron site | PAL/PLS |
Beamline | 6B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-02 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.914, 65.867, 72.704 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.830 - 1.900 |
R-factor | 0.19605 |
Rwork | 0.194 |
R-free | 0.23163 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zxo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.353 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.090 | 0.390 |
Number of reflections | 37177 | |
<I/σ(I)> | 21.95 | 4.18 |
Completeness [%] | 99.7 | 92.7 |
Redundancy | 6.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | PROTEIN WAS CRYSTALLIZED FROM 1.5 M SODIUM CHLORIDE, 10% ETHANOL, pH 7.5 |