9RFL
Human carbonic anhydrase II complexed with 2-(4-isobutylphenyl)-N-(2-sulfamoylethyl)propanamide
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 | 2023-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.514, 41.623, 72.858 |
| Unit cell angles | 90.00, 104.63, 90.00 |
Refinement procedure
| Resolution | 41.620 - 1.300 |
| Rwork | 0.169 |
| R-free | 0.18890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.927 |
| 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] | 41.620 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.046 | 1.088 |
| Rmeas | 0.055 | 1.331 |
| Number of reflections | 54497 | 2742 |
| <I/σ(I)> | 18.5 | 1.9 |
| Completeness [%] | 89.9 | 92.8 |
| Redundancy | 6.2 | 6 |
| CC(1/2) | 0.999 | 0.853 |
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 |
