5NFQ
Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments
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 | 2014-10-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 41.200, 84.180, 157.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.360 - 1.600 |
| R-factor | 0.1636 |
| Rwork | 0.162 |
| R-free | 0.19796 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.419 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.360 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 1.015 | |
| Number of reflections | 35698 | 2070 |
| <I/σ(I)> | 9.5 | 1.3 |
| Completeness [%] | 97.4 | 78.3 |
| Redundancy | 6 | 4.1 |
| CC(1/2) | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | E8 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.03 M of each ethylene glycol 0.1 M MOPS/HEPES-Na pH 7.5 |
