5C8I
Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-01-15 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.893, 41.763, 72.949 |
| Unit cell angles | 90.00, 104.59, 90.00 |
Refinement procedure
| Resolution | 35.940 - 2.200 |
| Rwork | 0.225 |
| R-free | 0.27600 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Phasing software | CNS |
| Refinement software | nCNS (1.0.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.060 | 2.310 | 1.590 |
| High resolution limit [Å] | 1.550 | 2.190 | 1.560 |
| Rmerge | 0.084 | 0.296 | 0.382 |
| Number of reflections | 35839 | ||
| <I/σ(I)> | 16.05 | 2.6 | 5.39 |
| Completeness [%] | 92.3 | 66 | 83.4 |
| Redundancy | 4.7 | 3.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 1.6M Na-citrate, 50 mM Tris |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 1.6M Na-citrate, 50 mM Tris |
