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 |