8QF7
Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylbenzyl)phenylsulfonamido)methyl)phenyl)glycine
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 | 2021-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.440, 41.460, 72.410 |
| Unit cell angles | 90.00, 104.41, 90.00 |
Refinement procedure
| Resolution | 40.112 - 1.225 |
| Rwork | 0.117 |
| R-free | 0.15240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.174 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.112 | 1.260 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.039 | 0.322 |
| Rmeas | 0.043 | 0.423 |
| Number of reflections | 60827 | 1378 |
| <I/σ(I)> | 21.84 | 2.35 |
| Completeness [%] | 84.6 | 26 |
| Redundancy | 5.4 | 2.2 |
| CC(1/2) | 0.999 | 0.834 |
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 |
