2XJA
Structure of MurE from M.tuberculosis with dipeptide and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-03 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.040, 76.320, 81.990 |
| Unit cell angles | 111.32, 91.42, 92.90 |
Refinement procedure
| Resolution | 76.300 - 3.000 |
| R-factor | 0.193 |
| Rwork | 0.189 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wtz |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.846 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SCALA |
| Refinement software | REFMAC (5.6.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.800 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.120 | 0.570 |
| Number of reflections | 31925 | |
| <I/σ(I)> | 9.1 | 2.6 |
| Completeness [%] | 95.9 | 95.9 |
| Redundancy | 3.7 | 3.7 |
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. |
