4QA9
Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 75.330, 75.330, 165.026 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.816 - 1.560 |
R-factor | 0.1234 |
Rwork | 0.122 |
R-free | 0.15100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i19 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.216 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX (PHASER) |
Refinement software | PHENIX (dev_1420) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.816 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Number of reflections | 65946 | |
Completeness [%] | 99.8 | 99.99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | 2.0M ammonium sulfate and 0.1M Tris:HCl, pH 8.5. Cyro was ethylene glycol., VAPOR DIFFUSION, temperature 298K |