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 |