6BCC
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.800, 41.700, 72.900 |
Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
Resolution | 15.470 - 1.800 |
Rwork | 0.168 |
R-free | 0.17600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c8i |
Refinement software | nCNS (1.0.0) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.075 |
Number of reflections | 25630 |
<I/σ(I)> | 13.2 |
Completeness [%] | 92.6 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.6 M sodium citrate, 50 mM TRIS pH 8.0 | |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.6 M sodium citrate, 50 mM TRIS pH 8.0 |