2OFJ
Crystal structure of the E190A mutant of o-succinylbenzoate synthase from Escherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979462 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.475, 77.388, 110.677 |
Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
Resolution | 43.291 - 2.300 |
R-factor | 0.225 |
Rwork | 0.222 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fhu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.278 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.291 | 51.780 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.131 | 0.018 | 0.018 |
Total number of observations | 3065 | 16566 | |
Number of reflections | 76466 | ||
<I/σ(I)> | 4.5 | 14 | 0.3 |
Completeness [%] | 96.5 | 93.4 | 82.8 |
Redundancy | 3.7 | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 298 | 0.1 M MES, 75 mM Sodium molybdate, 25% (v/v) PEG 4000, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |