3K34
Human carbonic anhydrase II with a sulfonamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-07-01 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.045, 41.269, 71.821 |
Unit cell angles | 90.00, 104.23, 90.00 |
Refinement procedure
Resolution | 18.000 - 0.900 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cba |
RMSD bond length | 0.033 |
RMSD bond angle | 0.052 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 0.920 |
High resolution limit [Å] | 0.900 | 0.900 |
Rmerge | 0.069 | 0.440 |
Number of reflections | 172463 | |
<I/σ(I)> | 17 | |
Completeness [%] | 98.0 | 96 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 298 | 3M ammonium sulfate, 50 mM tris-Cl 2mM pHMB , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |