8AGM
Limonene 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 | 95.985, 47.416, 142.814 |
| Unit cell angles | 90.00, 91.66, 90.00 |
Refinement procedure
| Resolution | 96.129 - 1.966 |
| Rwork | 0.232 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ng7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.635 |
| 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] | 96.129 | 2.000 |
| High resolution limit [Å] | 1.966 | 1.966 |
| Number of reflections | 91956 | 4525 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.998 | 0.322 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 291 | Morpheus crystal screen condition C3, 40% v/v Glycerol; 20% w/v PEG 4000 . The crystal was soaked for two hours in cryoprotectant containing 1mM mixture of cis (1R,2S,4R) and trans (1S,2R,4R) isomers of (+)-limonene oxide at pH 4.5. |
