9GU7
Human carbonic anhydrase II complexed with N-phenyl-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 | 2024-06-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.455, 41.681, 72.709 |
| Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
| Resolution | 35.890 - 1.350 |
| Rwork | 0.122 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.952 |
| 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] | 35.890 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.043 | 0.430 |
| Rmeas | 0.047 | 0.510 |
| Number of reflections | 48117 | 1325 |
| <I/σ(I)> | 22.6 | 2.8 |
| Completeness [%] | 88.8 | 50.1 |
| Redundancy | 5.8 | 3.3 |
| CC(1/2) | 0.999 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 1.5 M sodium citrate, 0.1 M Tris pH 8.0 |
