13YO
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z19735981
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 | 55.304, 82.980, 58.689 |
| Unit cell angles | 90.00, 108.60, 90.00 |
Refinement procedure
| Resolution | 55.620 - 1.470 |
| R-factor | 0.1943 |
| Rwork | 0.193 |
| R-free | 0.22610 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.573 |
| 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] | 82.810 | 82.810 | 1.500 |
| High resolution limit [Å] | 1.470 | 8.070 | 1.470 |
| Rmerge | 0.068 | 0.036 | 1.116 |
| Rmeas | 0.074 | 0.039 | 1.541 |
| Rpim | 0.030 | 0.016 | 1.056 |
| Total number of observations | 413364 | 3455 | 3766 |
| Number of reflections | 77059 | 553 | 1917 |
| <I/σ(I)> | 13.6 | 78.4 | 0.3 |
| Completeness [%] | 91.1 | 99.9 | 46.1 |
| Redundancy | 5.4 | 6.2 | 2 |
| CC(1/2) | 0.999 | 0.997 | 0.310 |
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 |
