3D8W
Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.808, 42.059, 72.720 |
| Unit cell angles | 90.00, 104.61, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.146 |
| Rwork | 0.146 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1moo |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.350 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 26998 | |
| Completeness [%] | 96.7 | 94.1 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 100mM tris-HCl, 1.3 m Sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
