3MWC
Crystal structure of probable o-succinylbenzoic acid synthetase from kosmotoga olearia
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 | 2009-04-29 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.171, 53.233, 59.386 |
Unit cell angles | 90.00, 113.40, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.800 |
R-factor | 0.21033 |
Rwork | 0.209 |
R-free | 0.26213 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.128 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.800 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.082 | 0.630 |
Number of reflections | 38997 | |
<I/σ(I)> | 5.4 | 0.8 |
Completeness [%] | 95.6 | 98.5 |
Redundancy | 4.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 100MM BIS-HCL, PH 5.5, 25% PEG 3350, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |