1THK
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.529, 41.607, 72.852 |
| Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| Rwork | 0.166 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.334 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 21547 | |
| Completeness [%] | 92.7 | 87.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 50 mM Tris-Cl pH 7.8, 2.5 ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
