5LQ4
The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways
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 |
Collection date | 2015-04-20 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.7712 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 109.300, 109.300, 195.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.830 - 2.650 |
R-factor | 0.19815 |
Rwork | 0.197 |
R-free | 0.22838 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.294 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 72.840 | 3.370 | 2.720 |
High resolution limit [Å] | 2.650 | 3.150 | 2.650 |
Rmerge | 0.083 | 0.836 | |
Number of reflections | 35204 | ||
<I/σ(I)> | 17.9 | 2.3 | 2.7 |
Completeness [%] | 100.0 | 80.6 | 99.6 |
Redundancy | 8.1 | 25 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 293 | 1.0 M sodium citrate, 0.1 M CHES pH 7.75 |
2 | VAPOR DIFFUSION | 7.75 | 293 | 1.0 M sodium citrate, 0.1 M CHES pH 7.75 |