13YN
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z19733482
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 | 55.461, 83.862, 58.890 |
| Unit cell angles | 90.00, 108.55, 90.00 |
Refinement procedure
| Resolution | 55.830 - 1.770 |
| R-factor | 0.1854 |
| Rwork | 0.183 |
| R-free | 0.22050 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.552 |
| 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] | 55.830 | 55.830 | 1.810 |
| High resolution limit [Å] | 1.770 | 9.030 | 1.770 |
| Rmerge | 0.121 | 0.049 | 1.613 |
| Rmeas | 0.132 | 0.055 | 1.822 |
| Rpim | 0.051 | 0.023 | 0.820 |
| Total number of observations | 327392 | 2424 | 13858 |
| Number of reflections | 49733 | 406 | 2776 |
| <I/σ(I)> | 18.4 | 81.4 | 1.7 |
| Completeness [%] | 99.9 | 99.9 | 98.2 |
| Redundancy | 6.6 | 6 | 5 |
| CC(1/2) | 0.996 | 0.991 | 0.392 |
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 |
