4RUY
Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9177 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.271, 41.107, 71.663 |
| Unit cell angles | 90.00, 104.29, 90.00 |
Refinement procedure
| Resolution | 19.868 - 1.140 |
| R-factor | 0.2016 |
| Rwork | 0.201 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.129 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.180 |
| High resolution limit [Å] | 1.140 | 2.450 | 1.140 |
| Number of reflections | 85660 | ||
| Completeness [%] | 98.4 | 98.4 | 94.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6 M sodium citrate, 50 mM Tris-HCl, 3mM 4-propoxybenzenesulfonamide, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
