3KON
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0
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 | 42.292, 41.212, 72.253 |
| Unit cell angles | 90.00, 104.25, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.2 |
| Rwork | 0.201 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.024 |
| 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 | 0.070 | 0.300 |
| Number of reflections | 38235 | |
| <I/σ(I)> | 20 | 6 |
| Completeness [%] | 97.9 | 98.1 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 11 | 300 | 1.4 M sodium citrate, pH 11.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
