4EWT
The crystal structure of a putative aminohydrolase from methicillin resistant Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.620, 120.110, 132.410 |
| Unit cell angles | 115.40, 94.64, 96.55 |
Refinement procedure
| Resolution | 39.320 - 2.100 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ysj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.205 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.090 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.111 | 0.404 |
| Number of reflections | 133741 | |
| <I/σ(I)> | 7.5 | 2.9 |
| Completeness [%] | 93.8 | 88.6 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | 0.2M Magnesium chloride hexahydrate, 0.1M HEPES pH 7.5, 30.0% PEG 400, Microbatch under oil, temperature 298K |
