3NYK
The structure of cobalt-substituted pseudoazurin from Alcaligenes faecalis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05-11 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 50.033, 50.033, 98.803 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.330 - 1.860 |
R-factor | 0.1509 |
Rwork | 0.150 |
R-free | 0.17806 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.449 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | Patterson (search) |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.330 | 1.930 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.038 | 0.073 |
Number of reflections | 11749 | |
<I/σ(I)> | 14.5 | 8.8 |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 10.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | Protein at 5 mg/ml concentration. 50mM Na-citrate pH 5.7, 20 mM CoCl2, 2.8 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP |