13YG
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1685106505
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-15 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92203 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.319, 83.114, 58.670 |
| Unit cell angles | 90.00, 108.55, 90.00 |
Refinement procedure
| Resolution | 55.620 - 1.810 |
| R-factor | 0.1933 |
| Rwork | 0.191 |
| R-free | 0.23770 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.510 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.630 | 55.630 | 1.850 |
| High resolution limit [Å] | 1.810 | 9.050 | 1.810 |
| Rmerge | 0.190 | 0.084 | 2.187 |
| Rmeas | 0.206 | 0.092 | 2.432 |
| Rpim | 0.079 | 0.037 | 1.051 |
| Total number of observations | 307713 | 2363 | 14407 |
| Number of reflections | 45915 | 393 | 2733 |
| <I/σ(I)> | 7.6 | 30.5 | 0.7 |
| Completeness [%] | 100.0 | 99.9 | 99.4 |
| Redundancy | 6.7 | 6 | 5.3 |
| CC(1/2) | 0.994 | 0.985 | 0.374 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M TRIS-HCl (pH 8.5), 16% PEG 3350, 16% Isopropanol |
