1ZFK
carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease 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 | 2005-02-09 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.490, 41.510, 72.410 |
Unit cell angles | 90.00, 104.45, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.560 |
R-factor | 0.1644 |
Rwork | 0.161 |
R-free | 0.22370 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 0.027 |
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 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Number of reflections | 32665 | |
<I/σ(I)> | 14.9 | 5 |
Completeness [%] | 93.1 | 74.4 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | cocrystallization | 8 | 277 | ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris HCl , pH 8.0, cocrystallization, temperature 277K |