8ACV
WelO5* bound to Zn(II), Cl, and 2-oxoglutarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-24 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000002 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 45.321, 83.097, 144.318 |
Unit cell angles | 90.00, 96.73, 90.00 |
Refinement procedure
Resolution | 47.770 - 2.260 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iqs |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.770 | 2.281 |
High resolution limit [Å] | 2.260 | 2.269 |
Rmeas | 0.174 | |
Number of reflections | 25004 | 2283 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 98.4 | |
Redundancy | 5.4 | |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293.15 | 22.14% PEG-4000, 30 mM sodium acetate pH 4.5 |