3GC2
1.85 Angstrom Crystal Structure of O-succinylbenzoate Synthase from Salmonella typhimurium in Complex with Succinic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 149.968, 149.968, 39.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.070 - 1.850 |
| R-factor | 0.15642 |
| Rwork | 0.155 |
| R-free | 0.18480 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.370 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | CRANK |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.070 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.084 | 0.528 |
| Number of reflections | 38286 | |
| <I/σ(I)> | 31.6 | 4.9 |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 13.5 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 1M Succinic Acid,1% PEG2000MME, 0.1M HEPES (pH 7.0) , VAPOR DIFFUSION, HANGING DROP, temperature 295K |
