2OKT
Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, ligand-free form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-06 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.700, 40.324, 59.223 |
| Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.300 |
| R-factor | 0.139 |
| Rwork | 0.138 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wue |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.325 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.040 | 0.500 |
| Number of reflections | 84257 | |
| <I/σ(I)> | 8.2 | 1.8 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 294 | O.1M TRIS-HCL, PH 8.5, 30% PEG 4000, 0.2M SODIUM ACETATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, temperature 294K, pH 8.50 |
