9HNX
Crystal structure of human carbonic anhydrase II in complex with N-benzyl-2-(2-chloro-N-(4-sulfamoylphenethyl)acetamido)-2-phenylacetamide
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 | 2023-09-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.563, 41.896, 72.516 |
| Unit cell angles | 90.00, 104.58, 90.00 |
Refinement procedure
| Resolution | 41.190 - 1.350 |
| Rwork | 0.143 |
| R-free | 0.17390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.009 |
| 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] | 41.190 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.040 | 0.283 |
| Rmeas | 0.048 | 0.355 |
| Number of reflections | 54475 | 13873 |
| <I/σ(I)> | 23 | 4.7 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.2 | 5.2 |
| CC(1/2) | 0.999 | 0.930 |
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 |
