8OMY
NI,FE-CODH -600mV state : 35 min Dioxygen Exposure
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 | 2016-11-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 112.390, 75.500, 71.460 |
Unit cell angles | 90.00, 111.47, 90.00 |
Refinement procedure
Resolution | 37.750 - 1.370 |
R-factor | 0.1235 |
Rwork | 0.123 |
R-free | 0.15280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.456 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.880 | 1.420 |
High resolution limit [Å] | 1.370 | 1.370 |
Number of reflections | 114334 | 10894 |
<I/σ(I)> | 0.119 | |
Completeness [%] | 97.8 | |
Redundancy | 3.69 | |
CC(1/2) | 0.999 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 0.1M Bis-Tris pH 6.5, PEG 3350 10-18%, Ammonium sulphate 0.18M |