8UX5
OvsA M401Y/Q430N/A431F from Halomonas utahensis, a hercynine-binding variant with selenoneine-biosynthetic activity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE 7B2 |
Synchrotron site | CHESS |
Beamline | 7B2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-11 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 65 |
Unit cell lengths | 162.174, 162.174, 124.663 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.090 - 3.060 |
R-factor | 0.2053 |
Rwork | 0.203 |
R-free | 0.25310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.103 |
Data reduction software | XDS (XDS-Apple_M1) |
Data scaling software | XDS (XDS-Apple_M1) |
Phasing software | PHASER (Phaser 1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.090 | 3.169 |
High resolution limit [Å] | 3.060 | 3.060 |
Rmerge | 0.037 | 0.661 |
Rmeas | 0.052 | 0.935 |
Rpim | 0.037 | 0.661 |
Number of reflections | 35167 | 3456 |
<I/σ(I)> | 14.1 | 1.09 |
Completeness [%] | 99.8 | 99.97 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.501 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.1 M sodium acetate pH 4.6, 3.5 M sodium formate, 10 mM sarcosine |