2RHQ
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 | C 1 2 1 |
| Unit cell lengths | 249.312, 87.602, 61.072 |
| Unit cell angles | 90.00, 100.44, 90.00 |
Refinement procedure
| Resolution | 35.600 - 2.200 |
| R-factor | 0.2 |
| Rwork | 0.196 |
| R-free | 0.26900 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.571 |
| 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] | 35.600 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.050 | 0.420 |
| Number of reflections | 62893 | |
| <I/σ(I)> | 12.91 | 2.16 |
| Completeness [%] | 95.7 | 76.1 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 18% PEG3350, 0.4M sodium formate, 0.1M Bis-Tris propane, pH 6.5, vapor diffusion, sitting drop, temperature 298K |
