2OPJ
Crystal structure of O-succinylbenzoate synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-26 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 |
Unit cell lengths | 36.976, 37.642, 51.990 |
Unit cell angles | 71.28, 76.13, 73.23 |
Refinement procedure
Resolution | 34.940 - 1.600 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.22600 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.037 | 0.108 |
Number of reflections | 29912 | |
<I/σ(I)> | 11.3 | 12 |
Completeness [%] | 90.5 | 52.7 |
Redundancy | 3.9 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Bis-Tris pH 5.5, 25% PEG3350, 0.2M Ammonium Acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |