2WTZ
MurE ligase of Mycobacterium Tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.920, 79.800, 82.920 |
| Unit cell angles | 111.09, 92.16, 93.98 |
Refinement procedure
| Resolution | 74.160 - 3.000 |
| R-factor | 0.19549 |
| Rwork | 0.193 |
| R-free | 0.25107 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8c |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.771 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.300 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.070 | 0.260 |
| Number of reflections | 33536 | |
| <I/σ(I)> | 11.1 | 4.4 |
| Completeness [%] | 91.2 | 93.7 |
| Redundancy | 1.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.35 M MGCL2, 0.1 M TRIS PH 8.5, 16% PEG 8000. |
