14AA
PanDDA analysis group deposition of ground-state model of Enterovirus D68 3Dpol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-15 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92202 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.230, 82.826, 58.566 |
| Unit cell angles | 90.00, 108.62, 90.00 |
Refinement procedure
| Resolution | 55.560 - 1.340 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.20010 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5xe0 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.830 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 82.980 | 82.980 | 1.360 |
| High resolution limit [Å] | 1.340 | 3.640 | 1.340 |
| Rmerge | 0.041 | 0.028 | 0.114 |
| Number of reflections | 81445 | 5707 | 281 |
| <I/σ(I)> | 25.3 | 91.7 | 0.5 |
| Completeness [%] | 73.0 | 100 | 5.1 |
| Redundancy | 5.18 | ||
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1M Tris-HCl, 16% PEG 3350, 16% Isopropanol |
