13XR
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1222424326
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 | 55.554, 83.670, 58.968 |
| Unit cell angles | 90.00, 108.37, 90.00 |
Refinement procedure
| Resolution | 46.560 - 1.470 |
| R-factor | 0.1962 |
| Rwork | 0.195 |
| R-free | 0.22280 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.611 |
| 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] | 46.510 | 46.510 | 1.500 |
| High resolution limit [Å] | 1.470 | 8.050 | 1.470 |
| Rmerge | 0.075 | 0.051 | 1.284 |
| Rmeas | 0.082 | 0.056 | 1.765 |
| Rpim | 0.033 | 0.024 | 1.202 |
| Total number of observations | 423574 | 3485 | 3939 |
| Number of reflections | 79100 | 561 | 2020 |
| <I/σ(I)> | 13.4 | 71.4 | 0.4 |
| Completeness [%] | 91.2 | 99.7 | 47.5 |
| Redundancy | 5.4 | 6.2 | 2 |
| CC(1/2) | 0.994 | 0.956 | 0.286 |
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 |
