3B51
Ni,Fe-CODH-600 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 | 2007-05-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 111.750, 74.660, 70.650 |
Unit cell angles | 90.00, 111.28, 90.00 |
Refinement procedure
Resolution | 27.900 - 1.400 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.18300 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.910 |
Data scaling software | XSCALE |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.900 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.066 | 0.188 |
Number of reflections | 104078 | 9062 |
<I/σ(I)> | 15.72 | 3.5 |
Completeness [%] | 97.8 | 85.8 |
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 |