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 |