2Q1B
Carbonic Anhydrase II in Complex with Saccharin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.220, 41.610, 72.160 |
| Unit cell angles | 90.00, 104.44, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| Rwork | 0.146 |
| R-free | 0.21620 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1oq5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.026 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 24239 | |
| <I/σ(I)> | 17.2 | 9.1 |
| Completeness [%] | 89.9 | 53.2 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 2.6-2.8M ammonium sulfate, 0.1M Tris-HCl, 0.001M chloro-mercury-benzoate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
