13XM
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1198177230
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 | 2024-11-14 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92204 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.489, 83.759, 58.995 |
| Unit cell angles | 90.00, 108.25, 90.00 |
Refinement procedure
| Resolution | 46.610 - 1.610 |
| R-factor | 0.1935 |
| Rwork | 0.192 |
| R-free | 0.22570 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.535 |
| 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] | 46.560 | 46.560 | 1.640 |
| High resolution limit [Å] | 1.610 | 8.670 | 1.610 |
| Rmerge | 0.084 | 0.052 | 1.732 |
| Rmeas | 0.092 | 0.058 | 2.100 |
| Rpim | 0.036 | 0.026 | 1.148 |
| Total number of observations | 391728 | 2765 | 9326 |
| Number of reflections | 65501 | 457 | 2918 |
| <I/σ(I)> | 14 | 79.9 | 0.5 |
| Completeness [%] | 98.7 | 99.6 | 85.9 |
| Redundancy | 6 | 6.1 | 3.2 |
| CC(1/2) | 0.996 | 0.970 | 0.283 |
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 |
