3GRI
The Crystal Structure of a Dihydroorotase from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.217, 55.229, 85.647 |
| Unit cell angles | 88.33, 76.56, 76.97 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.19117 |
| Rwork | 0.189 |
| R-free | 0.23673 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.436 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (SHARP) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.083 | 0.652 |
| Number of reflections | 54638 | |
| Completeness [%] | 97.5 | 94.1 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 2M Ammonium Sulphate, 5% Iso-propanol, VAPOR DIFFUSION, temperature 298K |
