2POW
The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide
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 | 2005-03-12 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.980, 41.400, 72.030 |
| Unit cell angles | 90.00, 104.23, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| Rwork | 0.184 |
| R-free | 0.21200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 23834 | |
| <I/σ(I)> | 15.1 | 3 |
| Completeness [%] | 99.1 | 94.9 |
| Redundancy | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 277 | 2.5M AMMONIUM SULPHATE, 0.3M SODIUM CHLORIDE, 0.1M TRIS-HYDROCHLORIDE, 1mM DTT, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
