6BC9
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2016-08-08 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.800, 42.100, 72.700 |
Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
Resolution | ? - ? |
Structure solution method | MOLECULAR REPLACEMENT |
Refinement software | nCNS (1.0.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.860 | 1.660 |
High resolution limit [Å] | 1.630 | 1.800 | 1.630 |
Rmerge | 0.079 | 0.324 | 0.333 |
Number of reflections | 30115 | ||
<I/σ(I)> | 18.6 | 4 | 5 |
Completeness [%] | 95.3 | 78.8 | 83.5 |
Redundancy | 6.1 | 2.2 | 5.2 |
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 |