6QNG
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.930, 66.050, 80.950 |
| Unit cell angles | 82.09, 84.41, 86.17 |
Refinement procedure
| Resolution | 65.330 - 1.670 |
| R-factor | 0.1952 |
| Rwork | 0.192 |
| R-free | 0.24973 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jd0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.683 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.330 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.168 | 0.717 |
| Number of reflections | 89465 | 12267 |
| <I/σ(I)> | 5.6 | 2 |
| Completeness [%] | 80.5 | 75.6 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294 | 0.2M AMMONIUM ACETATE, 0.1M SODIUM CITRATE, PH 5.6, 31% PEG 4000, PROTEIN 10 MG/ML, 5-10 MM INHIBITOR (STOCK SOLUTION WAS DISSOLVED IN 100% DMSO) |
