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 |
