2QOA
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 | 2006-04-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.2000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.323, 41.408, 71.968 |
| Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| Rwork | 0.177 |
| R-free | 0.19600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.006 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 31132 | |
| <I/σ(I)> | 18 | 3.4 |
| Completeness [%] | 97.0 | 92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 277 | AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K, temperature 277.0K |
