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 |
