7B6P
Crystal structure of E.coli MurE - C269S C340S C450S in complex with Ellman's reagent
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.590, 58.940, 74.380 |
| Unit cell angles | 96.72, 91.48, 104.47 |
Refinement procedure
| Resolution | 56.600 - 1.680 |
| Rwork | 0.197 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.543 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.600 | 1.720 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Number of reflections | 105615 | 7696 |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 97.0 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.999 | 0.384 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 13% PEG4K 19.5% 2-propanol |
