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 |