3B53
Ni,Fe-CODH-320 mV state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-05-18 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 111.830, 74.520, 70.740 |
Unit cell angles | 90.00, 111.40, 90.00 |
Refinement procedure
Resolution | 26.660 - 1.500 |
R-factor | 0.146 |
Rwork | 0.145 |
R-free | 0.17800 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.951 |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 1.500 | |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.058 | 0.325 |
Number of reflections | 81496 | 2994 |
<I/σ(I)> | 13.76 | 5.3 |
Completeness [%] | 90.4 | 85.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | PEG3350, (NH4)2SO4, Bis-Tris, sodium dithionite, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |