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 |