7QSI
human Carbonic Anhydrase II in complex with indoline-1-sulfonamide
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 | 2021-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.999900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.360, 41.560, 72.070 |
| Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
| Resolution | 41.045 - 1.304 |
| Rwork | 0.163 |
| R-free | 0.18450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fik |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.854 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.200 | 1.340 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.064 | 0.732 |
| Rmeas | 0.070 | 0.844 |
| Number of reflections | 52866 | 2056 |
| <I/σ(I)> | 19.54 | 2.1 |
| Completeness [%] | 88.9 | 46.7 |
| Redundancy | 6.11 | 3.98 |
| CC(1/2) | 0.999 | 0.638 |
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 |
