2QO8
Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.154, 41.426, 71.765 |
| Unit cell angles | 90.00, 104.22, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.19900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 46329 | |
| <I/σ(I)> | 17.4 | 3.1 |
| Completeness [%] | 98.0 | 91.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 277 | AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277 K, temperature 277.0K, pH 8.20 |
