7QRK
Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide
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 | 2019-03-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.268, 41.233, 72.061 |
| Unit cell angles | 90.00, 104.31, 90.00 |
Refinement procedure
| Resolution | 40.990 - 1.428 |
| Rwork | 0.151 |
| R-free | 0.16960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fik |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.906 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.230 | 1.450 |
| High resolution limit [Å] | 1.428 | 1.430 |
| Rmerge | 0.040 | 0.410 |
| Rmeas | 0.048 | 0.507 |
| Rpim | 0.026 | 0.294 |
| Number of reflections | 44771 | 2154 |
| <I/σ(I)> | 21.5 | 3.2 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.999 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.5 M sodium citrate, 0.1 M Tris pH 8.0 |
