7PP9
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-19 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.822, 74.862, 76.439 |
| Unit cell angles | 90.00, 105.46, 90.02 |
Refinement procedure
| Resolution | 74.860 - 2.340 |
| R-factor | 0.1652 |
| Rwork | 0.161 |
| R-free | 0.24840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qnl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.744 |
| Data scaling software | SADABS |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.860 | 2.390 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.160 | 0.347 |
| Number of reflections | 54029 | 3077 |
| <I/σ(I)> | 9.6 | 2.72 |
| Completeness [%] | 94.7 | 98.3 |
| Redundancy | 5.23 | 3.58 |
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 CONC. 10 MG/ML, 5-10 MM INHIBITOR (STOCK SOLUTION WAS DISSOLVED IN 100% DMSO) |
