1ZGF
carbonic anhydrase II in complex with trichloromethiazide 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 | 2004-12-19 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.390, 41.530, 72.740 |
Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.750 |
R-factor | 0.1695 |
Rwork | 0.168 |
R-free | 0.22800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 0.023 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 24268 | |
<I/σ(I)> | 8.5 | 2 |
Completeness [%] | 97.3 | 94.7 |
Redundancy | 2.2 | 2.2 |
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 |