9GUM
Human carbonic anhydrase II complexed with N-phenethyl-2-(1H-tetrazol-5-yl)acetamide
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 | 2024-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.568, 41.876, 72.564 |
| Unit cell angles | 90.00, 104.73, 90.00 |
Refinement procedure
| Resolution | 41.200 - 1.700 |
| Rwork | 0.153 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.789 |
| 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] | 41.200 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.118 | 0.801 |
| Rmeas | 0.138 | 0.951 |
| Number of reflections | 25464 | 1118 |
| <I/σ(I)> | 9.3 | 1.8 |
| Completeness [%] | 92.7 | 78 |
| Redundancy | 6.1 | 5.7 |
| CC(1/2) | 0.996 | 0.692 |
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 |
