13YK
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z190780124
This is a non-PDB format compatible entry.
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 | 55.377, 82.784, 58.967 |
| Unit cell angles | 90.00, 108.47, 90.00 |
Refinement procedure
| Resolution | 55.930 - 1.570 |
| R-factor | 0.2124 |
| Rwork | 0.210 |
| R-free | 0.24930 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.477 |
| 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] | 55.910 | 55.910 | 1.600 |
| High resolution limit [Å] | 1.570 | 8.600 | 1.570 |
| Rmerge | 0.117 | 0.040 | 2.584 |
| Rmeas | 0.128 | 0.044 | 2.942 |
| Rpim | 0.050 | 0.017 | 1.385 |
| Total number of observations | 393807 | 2766 | 7133 |
| Number of reflections | 63634 | 455 | 1633 |
| <I/σ(I)> | 8.2 | 49.6 | 0.2 |
| Completeness [%] | 90.6 | 99.2 | 47.1 |
| Redundancy | 6.2 | 6.1 | 4.4 |
| CC(1/2) | 0.996 | 0.998 | 0.367 |
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 |
