8R2K
Human Carbonic Anhydrase II in complex with 4-((2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-yl)amino)benzenesulfonamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.557, 41.613, 72.867 |
| Unit cell angles | 90.00, 104.41, 90.00 |
Refinement procedure
| Resolution | 35.872 - 1.600 |
| Rwork | 0.225 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.708 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.872 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.077 | 0.218 |
| Rmeas | 0.086 | 0.236 |
| Number of reflections | 32031 | 1545 |
| <I/σ(I)> | 14.5 | 5.9 |
| Completeness [%] | 97.8 | 96.7 |
| Redundancy | 6.1 | 6.5 |
| CC(1/2) | 0.994 | 0.981 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 1.5 M sodium citrate, 0.1 M Tris pH 8.0 |
