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 |
