3KOI
Crystal structure of cobalt (III) human carbonic anhydrase II at pH 6.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 300 |
Detector technology | IMAGE PLATE |
Collection date | 2008-04-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.422, 41.563, 72.993 |
Unit cell angles | 90.00, 105.53, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.640 |
R-factor | 0.22 |
Rwork | 0.189 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.023 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.650 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.080 | 0.430 |
Number of reflections | 29472 | |
<I/σ(I)> | 16 | 5 |
Completeness [%] | 90.0 | 90 |
Redundancy | 2.4 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | 1.4 M sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |