5N0J
Structure of a novel oxidoreductase from Gloeobacter violaceus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99989 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 57.842, 143.325, 265.111 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.728 - 1.949 |
R-factor | 0.2033 |
Rwork | 0.202 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jri |
RMSD bond length | 0.011 |
RMSD bond angle | 1.105 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11_2567: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.730 | 2.019 |
High resolution limit [Å] | 1.949 | 1.949 |
Rmerge | 0.170 | 2.840 |
Number of reflections | 80406 | |
<I/σ(I)> | 9.19 | 0.88 |
Completeness [%] | 99.0 | 95.71 |
Redundancy | 10 | 10 |
CC(1/2) | 0.997 | 0.472 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1.5 M Li2SO4 0.1 M HEPES, pH 7.5 Crystals were soaked for 5 min in a solution of mother liquor plus 0.1 M reduced Glutathione, immersed in a solution of mother liquor containing 25% Ethylene glycol and immediately flash-frozen in liquid nitrogen |