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 |