2BVC
Crystal structure of Mycobacterium tuberculosis glutamine synthetase in complex with a transition state mimic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-03 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 133.261, 229.457, 203.167 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hto |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.161 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.060 | 0.340 |
| Number of reflections | 160432 | |
| <I/σ(I)> | 13.2 | 2.4 |
| Completeness [%] | 89.6 | 69.1 |
| Redundancy | 3.5 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 30% PEG400, 0.1M MES PH6.8, 200 MM MGCL2, pH 6.80 |
