3KOK
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 8.5
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 | 42.366, 41.159, 72.062 |
Unit cell angles | 90.00, 104.28, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.500 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.025 |
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 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.074 | 0.280 |
Number of reflections | 36608 | |
<I/σ(I)> | 28 | 4 |
Completeness [%] | 95.0 | 91 |
Redundancy | 3.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 300 | 1.4 M sodium citrate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |