29CT
Crystal structure of enterovirus D68-3Cpro in complex with RK-384
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-01-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 56.430, 56.430, 170.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.980 - 1.910 |
| Rwork | 0.230 |
| R-free | 0.27550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.853 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.980 | 1.978 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Number of reflections | 25274 | 2358 |
| <I/σ(I)> | 11.53 | |
| Completeness [%] | 99.5 | |
| Redundancy | 9.9 | |
| CC(1/2) | 0.999 | 0.323 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Tris-HCl pH 7.8, 0.2 M Ammoniumacetat, 25 % w/v PEG 3350. |
