4ITP
Structure of human carbonic anhydrase II bound to a benzene sulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-02-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.340, 41.274, 72.007 |
| Unit cell angles | 90.00, 104.16, 90.00 |
Refinement procedure
| Resolution | 21.143 - 1.697 |
| R-factor | 0.1547 |
| Rwork | 0.153 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.297 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.697 | 1.700 |
| Number of reflections | 22571 | |
| Completeness [%] | 83.9 | 82.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 1.6M citrate, Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP |
