2RHS
PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-10 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.714, 87.861, 234.036 |
| Unit cell angles | 90.00, 90.59, 90.00 |
Refinement procedure
| Resolution | 57.300 - 2.200 |
| R-factor | 0.197 |
| Rwork | 0.193 |
| R-free | 0.27100 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.810 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.300 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.057 | 0.440 |
| Number of reflections | 111713 | |
| <I/σ(I)> | 13.95 | 2.3 |
| Completeness [%] | 89.3 | 56.2 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 18% PEG3350, 0.2M sodium/potassium phosphate, pH 7.0, vapor diffusion, sitting drop, temperature 298K |
