8CO3
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
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 | 2019-03-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.780, 67.480, 81.000 |
| Unit cell angles | 81.47, 84.09, 86.45 |
Refinement procedure
| Resolution | 79.740 - 1.680 |
| R-factor | 0.2022 |
| Rwork | 0.199 |
| R-free | 0.25406 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.488 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.740 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.164 | 0.561 |
| Number of reflections | 94857 | 13891 |
| <I/σ(I)> | 4.5 | 2 |
| Completeness [%] | 85.5 | 85.4 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 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), VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
