13XW
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1265813904
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 | 2024-11-14 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92204 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.227, 82.998, 58.657 |
| Unit cell angles | 90.00, 108.61, 90.00 |
Refinement procedure
| Resolution | 41.530 - 1.740 |
| R-factor | 0.1803 |
| Rwork | 0.178 |
| R-free | 0.21640 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.621 |
| 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] | 41.480 | 41.480 | 1.770 |
| High resolution limit [Å] | 1.740 | 9.030 | 1.740 |
| Rmerge | 0.144 | 0.073 | 2.741 |
| Rmeas | 0.156 | 0.081 | 3.067 |
| Rpim | 0.060 | 0.033 | 1.351 |
| Total number of observations | 335834 | 2408 | 13400 |
| Number of reflections | 51204 | 391 | 2724 |
| <I/σ(I)> | 17 | 77 | 1.4 |
| Completeness [%] | 99.1 | 98.9 | 95.5 |
| Redundancy | 6.6 | 6.2 | 4.9 |
| CC(1/2) | 0.994 | 0.946 | 0.273 |
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 |
