13ZO
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z445191014
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) | 0.92202 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.497, 83.943, 59.027 |
| Unit cell angles | 90.00, 108.08, 90.00 |
Refinement procedure
| Resolution | 56.110 - 1.510 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.23300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.581 |
| 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] | 56.110 | 56.110 | 1.540 |
| High resolution limit [Å] | 1.510 | 8.270 | 1.510 |
| Rmerge | 0.085 | 0.054 | 1.455 |
| Rmeas | 0.093 | 0.059 | 1.858 |
| Rpim | 0.036 | 0.024 | 1.129 |
| Total number of observations | 421112 | 3273 | 5239 |
| Number of reflections | 73772 | 524 | 2123 |
| <I/σ(I)> | 11.8 | 62.8 | 0.3 |
| Completeness [%] | 91.6 | 99.9 | 53.9 |
| Redundancy | 5.7 | 6.2 | 2.5 |
| CC(1/2) | 0.997 | 0.986 | 0.355 |
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 |
