13YR
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z198195770
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 | 55.525, 83.535, 59.057 |
| Unit cell angles | 90.00, 108.32, 90.00 |
Refinement procedure
| Resolution | 56.060 - 1.830 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.23410 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.473 |
| 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] | 83.510 | 83.510 | 1.870 |
| High resolution limit [Å] | 1.830 | 8.960 | 1.830 |
| Rmerge | 0.166 | 0.060 | 1.887 |
| Rmeas | 0.180 | 0.066 | 2.093 |
| Rpim | 0.068 | 0.027 | 0.888 |
| Total number of observations | 305536 | 2510 | 14607 |
| Number of reflections | 45000 | 416 | 2692 |
| <I/σ(I)> | 7.8 | 44.6 | 0.5 |
| Completeness [%] | 99.6 | 99.9 | 97.8 |
| Redundancy | 6.8 | 6 | 5.4 |
| CC(1/2) | 0.992 | 0.979 | 0.294 |
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 |
