8AGN
Cyclohexane epoxide low pH soak of epoxide hydrolase from metagenomic source ch65
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.851, 47.330, 142.611 |
| Unit cell angles | 90.00, 91.71, 90.00 |
Refinement procedure
| Resolution | 142.548 - 1.957 |
| Rwork | 0.205 |
| R-free | 0.25870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ng7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.640 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 142.548 | 1.991 |
| High resolution limit [Å] | 1.957 | 1.957 |
| Number of reflections | 102758 | 4581 |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.999 | 0.303 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 291 | Morpheus crystallisation kit condition H8, 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350 . The crystal was soaked for 2 hours in cryoprotectant containing 1mM of cyclohexane oxide at pH 4.5. |
