13YW
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z26333448
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 | 55.320, 83.675, 58.756 |
| Unit cell angles | 90.00, 108.46, 90.00 |
Refinement procedure
| Resolution | 55.730 - 1.770 |
| R-factor | 0.2072 |
| Rwork | 0.205 |
| R-free | 0.24440 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.472 |
| 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] | 83.620 | 83.620 | 1.800 |
| High resolution limit [Å] | 1.770 | 9.020 | 1.770 |
| Rmerge | 0.212 | 0.058 | 2.622 |
| Rmeas | 0.230 | 0.064 | 2.927 |
| Rpim | 0.088 | 0.026 | 1.280 |
| Total number of observations | 326025 | 2430 | 13951 |
| Number of reflections | 49200 | 405 | 2736 |
| <I/σ(I)> | 7.3 | 43 | 0.5 |
| Completeness [%] | 99.3 | 99.9 | 97.1 |
| Redundancy | 6.6 | 6 | 5.1 |
| CC(1/2) | 0.993 | 0.992 | 0.344 |
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 |
