2OCZ
The Structure of a Putative 3-Dehydroquinate Dehydratase from Streptococcus pyogenes.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97906, 0.97924 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 81.688, 81.688, 85.364 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.500 - 1.850 |
| R-factor | 0.17763 |
| Rwork | 0.175 |
| R-free | 0.23041 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.343 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.500 | 1.898 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 23052 | |
| <I/σ(I)> | 9.1 | |
| Completeness [%] | 96.0 | 77.96 |
| Redundancy | 18.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 0.2M MgCl2, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
