2EGZ
Crystal structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2006-10-15 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.9788, 0.900, 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.937, 67.614, 60.238 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.750 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.23700 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.080 | 0.287 |
| Number of reflections | 80554 | |
| Completeness [%] | 99.3 | 94.4 |
| Redundancy | 5.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 5.6 | 291 | 30% PEG 4000, 0.2M Ammonium acetate, 0.1M Citrate pH5.6, LIQUID DIFFUSION, temperature 291K |
