13XZ
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z133716556
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) | 0.92204 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.592, 84.622, 59.227 |
| Unit cell angles | 90.00, 108.17, 90.00 |
Refinement procedure
| Resolution | 52.880 - 1.820 |
| R-factor | 0.2227 |
| Rwork | 0.220 |
| R-free | 0.27060 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.515 |
| 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] | 52.840 | 52.840 | 1.860 |
| High resolution limit [Å] | 1.820 | 9.110 | 1.820 |
| Rmerge | 0.209 | 0.052 | 4.963 |
| Rmeas | 0.227 | 0.057 | 5.517 |
| Rpim | 0.087 | 0.023 | 2.375 |
| Total number of observations | 312708 | 2385 | 14150 |
| Number of reflections | 46517 | 397 | 2686 |
| <I/σ(I)> | 8 | 59.2 | 0.3 |
| Completeness [%] | 99.8 | 99.7 | 97.4 |
| Redundancy | 6.7 | 6 | 5.3 |
| CC(1/2) | 0.996 | 0.991 | 0.411 |
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 |
