3N0N
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-04-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.359, 41.448, 71.961 |
| Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
| Resolution | 19.968 - 1.500 |
| R-factor | 0.1419 |
| Rwork | 0.140 |
| R-free | 0.17120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mzc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.513 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.076 | |
| Number of reflections | 36024 | |
| <I/σ(I)> | 19.2 | 5.1 |
| Completeness [%] | 92.3 | 87.4 |
| Redundancy | 7.1 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 50 mM tris-HCl, 1.2 M sodium citrate, 5 + 5 uL droplet, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
