1Z9Y
carbonic anhydrase II in complex with furosemide as sulfonamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 103 |
Detector technology | IMAGE PLATE |
Collection date | 2005-02-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.310, 41.950, 72.150 |
Unit cell angles | 90.00, 104.57, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.660 |
R-factor | 0.1777 |
Rwork | 0.172 |
R-free | 0.24550 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.166 |
RMSD bond angle | 0.036 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.690 |
High resolution limit [Å] | 1.660 | 1.660 |
Number of reflections | 28940 | |
<I/σ(I)> | 11.1 | 2.6 |
Completeness [%] | 99.1 | 98.2 |
Redundancy | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | soaking | 8 | 277 | ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris hcl, pH 8.0, soaking, temperature 277K |