13ZH
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z381474098
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 | 55.427, 83.635, 58.895 |
| Unit cell angles | 90.00, 108.39, 90.00 |
Refinement procedure
| Resolution | 55.890 - 1.660 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.604 |
| 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] | 55.860 | 55.860 | 1.690 |
| High resolution limit [Å] | 1.660 | 9.090 | 1.660 |
| Rmerge | 0.103 | 0.061 | 2.145 |
| Rmeas | 0.112 | 0.068 | 2.438 |
| Rpim | 0.044 | 0.029 | 1.140 |
| Total number of observations | 372375 | 2306 | 11952 |
| Number of reflections | 59244 | 392 | 2717 |
| <I/σ(I)> | 14 | 68.4 | 0.9 |
| Completeness [%] | 98.6 | 99.9 | 91.4 |
| Redundancy | 6.3 | 5.9 | 4.4 |
| CC(1/2) | 0.995 | 0.972 | 0.288 |
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 |
