7OK8
Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide
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 | 2020-02-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0001 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.616, 41.386, 72.254 |
| Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
| Resolution | 41.270 - 1.430 |
| Rwork | 0.142 |
| R-free | 0.16510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fik |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.032 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.274 | 1.510 |
| High resolution limit [Å] | 1.427 | 1.430 |
| Rmerge | 0.029 | 0.101 |
| Rmeas | 0.041 | 0.143 |
| Number of reflections | 158529 | 25767 |
| <I/σ(I)> | 15.16 | 5.3 |
| Completeness [%] | 89.4 | 89.9 |
| Redundancy | 1.74 | 1.66 |
| CC(1/2) | 0.998 | 0.971 |
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 |
