3CAJ
Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide
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 | 2005-10-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.2 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.210, 41.360, 72.030 |
| Unit cell angles | 90.00, 104.35, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| Rwork | 0.180 |
| R-free | 0.21400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 21636 | |
| <I/σ(I)> | 14.9 | 8.4 |
| Completeness [%] | 95.9 | 80.8 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 2.5M ammonium sulphate, 0.3M sodium chloride, 0.1M Tris-HCl, 1mM DTT, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
