8RLP
Human Carbonic Anhydrase II in complex with veralipride
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 | 2021-11-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97170 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.400, 41.620, 72.330 |
| Unit cell angles | 90.00, 104.49, 90.00 |
Refinement procedure
| Resolution | 35.800 - 1.342 |
| Rwork | 0.116 |
| R-free | 0.15640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.096 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.800 | 1.380 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.058 | 0.679 |
| Rmeas | 0.063 | 0.769 |
| Number of reflections | 54690 | 3942 |
| <I/σ(I)> | 17.37 | 2.29 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 6.1 | 4.59 |
| CC(1/2) | 0.999 | 0.727 |
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 |
