7QSE
human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)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 | 42.317, 41.243, 72.085 |
| Unit cell angles | 90.00, 104.35, 90.00 |
Refinement procedure
| Resolution | 35.538 - 1.428 |
| Rwork | 0.147 |
| R-free | 0.16420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fik |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.999 |
| 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] | 41.240 | 1.450 |
| High resolution limit [Å] | 1.428 | 1.430 |
| Rmerge | 0.029 | 0.261 |
| Rmeas | 0.035 | 0.321 |
| Rpim | 0.019 | 0.184 |
| Number of reflections | 43568 | 2006 |
| <I/σ(I)> | 32.9 | |
| Completeness [%] | 97.2 | 92.4 |
| Redundancy | 6.4 | 5.6 |
| CC(1/2) | 1.000 | 0.930 |
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 |
