7B95
CooS-V with partially oxidized hybrid cluster by hydroxylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-20 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.148, 108.065, 82.237 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 45.110 - 1.400 |
R-factor | 0.1328 |
Rwork | 0.133 |
R-free | 0.16570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7b7q |
RMSD bond length | 0.013 |
RMSD bond angle | 1.521 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.110 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 220775 | 21847 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 99.3 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1 M Bis-Tris propane (pH 6.5), 0.15 M KSCN and 16-20% (w/v) PEG3350 |