3RGA
Crystal structure of epoxide hydrolase for polyether lasalocid A biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.850, 47.480, 62.330 |
| Unit cell angles | 90.00, 120.11, 90.00 |
Refinement procedure
| Resolution | 29.450 - 1.590 |
| R-factor | 0.17362 |
| Rwork | 0.173 |
| R-free | 0.19236 |
| Structure solution method | MOLREP |
| Starting model (for MR) | PDB Code 1E3V |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.781 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.450 | 1.630 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Number of reflections | 39256 | |
| <I/σ(I)> | 12.2 | 1.7 |
| Completeness [%] | 97.2 | 94.1 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.1M sodium acetate, 1.6M sodium formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
