29HM
Crystal structure of Enterovirus D68 3C protease determined via sulfur phasing
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 50 |
| Detector technology | PIXEL |
| Collection date | 2026-01-28 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 2.7552 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.468, 104.468, 43.029 |
| Unit cell angles | 90.00, 109.27, 90.00 |
Refinement procedure
| Resolution | 52.230 - 1.801 |
| R-factor | 0.1922 |
| Rwork | 0.189 |
| R-free | 0.23130 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.000 |
| Data reduction software | xia2.multiplex |
| Data scaling software | xia2.multiplex |
| Phasing software | CRANK2 |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.470 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.075 | 0.575 |
| Rmeas | 0.077 | 0.649 |
| Rpim | 0.016 | 0.293 |
| Number of reflections | 30078 | 5641 |
| <I/σ(I)> | 19.4 | 0.9 |
| Completeness [%] | 98.9 | 85.53 |
| Redundancy | 18.3 | 4.4 |
| CC(1/2) | 0.999 | 0.586 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293.15 | 0.1 M Tris pH 7.8, 0.2 M Ammonium acetate, 50 % w/v PEG 3350 |
