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 |