2YSW
Crystal Structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2007-01-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 131.796, 131.796, 108.012 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.250 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2egz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.080 | 0.318 |
| Number of reflections | 45453 | |
| Completeness [%] | 99.2 | 93.4 |
| Redundancy | 26.4 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 4.8 | 291 | 44% MPD, 0.1M Acetate NaOH, 0.05M Magnesium chloride, pH 4.80, LIQUID DIFFUSION, temperature 291K |
