9GOO
Crystal structure of human carbonic anhydrase II in complex with PCI-27483
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 | 2023-06-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.509, 41.737, 72.501 |
| Unit cell angles | 90.00, 104.63, 90.00 |
Refinement procedure
| Resolution | 40.218 - 1.400 |
| Rwork | 0.151 |
| R-free | 0.19310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.970 |
| 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] | 40.218 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.049 | 0.319 |
| Rmeas | 0.059 | 0.386 |
| Number of reflections | 46842 | 2253 |
| <I/σ(I)> | 17.9 | 4.2 |
| Completeness [%] | 96.6 | 94.5 |
| Redundancy | 6.4 | 6.3 |
| CC(1/2) | 0.999 | 0.935 |
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 |
