2GD8
Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate
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 | 2005-03-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.2 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.130, 41.420, 72.080 |
| Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.460 |
| Rwork | 0.195 |
| R-free | 0.21200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.420 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.500 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Number of reflections | 40728 | |
| <I/σ(I)> | 20.8 | 6 |
| Completeness [%] | 97.2 | 94.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCL, 4-HYDROXYMERCURYBENZOATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
