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 |
