4YVY
Crystal structure of human carbonic anhydrase II in complex with hydroxylamine-O-sulfonamide, a molecule incorporating two zinc-binding groups.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-10 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.236, 41.319, 72.153 |
Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.450 |
Rwork | 0.162 |
R-free | 0.19200 |
Structure solution method | FOURIER SYNTHESIS |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.049 | 0.412 |
Number of reflections | 39182 | |
<I/σ(I)> | 22.64 | 2.81 |
Completeness [%] | 91.1 | 74.1 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 1.3 M sodium citrate and 0.1 M Tris-HCl, pH 8.5 |