9R0L
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
This is a non-PDB format compatible entry.
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 | 2024-12-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.567, 76.701, 78.868 |
| Unit cell angles | 62.61, 79.07, 72.89 |
Refinement procedure
| Resolution | 44.410 - 1.450 |
| R-factor | 0.18549 |
| Rwork | 0.184 |
| R-free | 0.20861 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.987 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.410 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.069 | 0.309 |
| Number of reflections | 158363 | 7664 |
| <I/σ(I)> | 10.2 | 3.9 |
| Completeness [%] | 96.6 | 94.8 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.15 M MgCl2, 0.1 M NaAce (pH 5.5), 15% PEG 4000,PROTEIN 10 MG/ML, 5-10 MM INHIBITOR (STOCK SOLUTION WAS DISSOLVED IN 100% DMSO) |
