9SNB
human carbonic anhydrase II in complex with 4-(2-fluoro-4-sulfamoylphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
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 | 2025-02-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.373, 41.464, 72.010 |
| Unit cell angles | 90.00, 104.19, 90.00 |
Refinement procedure
| Resolution | 41.113 - 1.750 |
| Rwork | 0.162 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.635 |
| 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] | 41.113 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.109 | 0.974 |
| Rmeas | 0.130 | 1.200 |
| Number of reflections | 22338 | 1301 |
| <I/σ(I)> | 11.9 | 1.6 |
| Completeness [%] | 90.5 | 97.3 |
| Redundancy | 6.4 | 5.7 |
| CC(1/2) | 0.998 | 0.553 |
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 |
