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 |