2POU
The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-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 | 41.910, 41.300, 71.740 |
Unit cell angles | 90.00, 104.31, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.600 |
Rwork | 0.193 |
R-free | 0.22400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ca2 |
RMSD bond length | 0.005 |
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 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 30560 | |
<I/σ(I)> | 13.5 | 3.5 |
Completeness [%] | 96.6 | 89.7 |
Redundancy | 3.2 | 2.4 |
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 |