5AII
Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-PEG complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.970, 104.230, 148.000 |
| Unit cell angles | 90.00, 102.41, 90.00 |
Refinement procedure
| Resolution | 104.230 - 1.470 |
| R-factor | 0.17687 |
| Rwork | 0.175 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nww |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.647 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.200 | 1.510 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.040 | 0.770 |
| Number of reflections | 336972 | |
| <I/σ(I)> | 18.3 | 1.9 |
| Completeness [%] | 97.5 | 94.2 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
