3ZXO
CRYSTAL STRUCTURE OF THE MUTANT ATP-BINDING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS DOSS
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 | 2010-01-14 |
| Detector | BRUKER PROTEUM 300 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.186, 53.186, 184.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.080 - 1.900 |
| R-factor | 0.18832 |
| Rwork | 0.186 |
| R-free | 0.23585 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.458 |
| 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] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.900 | 1.830 |
| Rmerge | 0.080 | 0.460 |
| Number of reflections | 25671 | |
| <I/σ(I)> | 55.97 | 8.26 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 22.3 | 20.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | PROTEIN WAS CRYSTALLIZED FROM 15% PEG 1500, 200 MM ZINC ACETATE, 100 MM CITRATE, PH 6.0 |
