4C12
X-ray Crystal Structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.540, 54.290, 71.190 |
| Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
| Resolution | 52.230 - 1.800 |
| R-factor | 0.16167 |
| Rwork | 0.160 |
| R-free | 0.19716 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8c |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.540 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.390 |
| Number of reflections | 50122 | |
| <I/σ(I)> | 11.1 | 2.5 |
| Completeness [%] | 89.2 | 54.9 |
| Redundancy | 3.06 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MORPHEUS SCREEN CONDITION D9 0.1 M TRIS/BICINE, PH 8.5, 30% (W/V) PEG550MME/PEG20K MIX, 0.12 M 1,6 HEXANEDIOL, 1-BUTANOL, 1,2-PROPANEDIOL (RACEMIC), 2-PROPANOL, 1,4-BUTANEDIOL, 1,3-PROANEDIOL MIX) |
