4N16
Structure of cholate bound to human carbonic anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-12-06 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.358, 41.595, 71.931 |
| Unit cell angles | 90.00, 104.53, 90.00 |
Refinement procedure
| Resolution | 19.995 - 1.540 |
| R-factor | 0.1461 |
| Rwork | 0.145 |
| R-free | 0.17060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.308 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (1.8_1069) |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.540 |
| Number of reflections | 33813 |
| Completeness [%] | 93.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 1.6M Citric Acid, 50mM Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP |
