13YY
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z275151340
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 | 55.445, 83.290, 59.034 |
| Unit cell angles | 90.00, 108.57, 90.00 |
Refinement procedure
| Resolution | 55.960 - 1.340 |
| R-factor | 0.1784 |
| Rwork | 0.177 |
| R-free | 0.20000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.813 |
| 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] | 56.000 | 56.000 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.220 | 1.340 |
| Rmerge | 0.045 | 0.036 | |
| Rmeas | 0.049 | 0.040 | |
| Rpim | 0.019 | 0.017 | |
| Total number of observations | 427228 | 4961 | 220 |
| Number of reflections | 81674 | 771 | 219 |
| <I/σ(I)> | 23.6 | 91.3 | 0.4 |
| Completeness [%] | 71.7 | 99.9 | 3.8 |
| Redundancy | 5.2 | 6.4 | 1 |
| CC(1/2) | 0.999 | 0.996 |
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 |
