2QVH
Crystal structure of O-succinylbenzoate synthase complexed with O-succinyl benzoate (OSB)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.543, 52.877, 61.449 |
| Unit cell angles | 70.53, 87.22, 85.56 |
Refinement procedure
| Resolution | 34.250 - 1.760 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2opj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.042 | 0.092 |
| Number of reflections | 48053 | |
| <I/σ(I)> | 23.2 | 2 |
| Completeness [%] | 92.0 | 95.2 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M Bis-Tris pH 6.5, 25% PEG 3350, 0.2M Ammonium acetate, 10mM Magnesium chloride, 10mM O-Succinyl benzoate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
