1IF6
Carbonic Anhydrase II Complexed With 3,5-difluorobenzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-03-17 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.600, 41.900, 73.500 |
Unit cell angles | 90.00, 104.10, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.090 |
Rwork | 0.211 |
R-free | 0.29900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2cba |
RMSD bond length | 0.011 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.090 |
Rmerge | 0.090 |
Number of reflections | 13211 |
<I/σ(I)> | 10.5 |
Completeness [%] | 95.1 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |