13ZS
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z54226006
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 | 2024-11-16 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92202 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.402, 82.941, 58.957 |
| Unit cell angles | 90.00, 108.37, 90.00 |
Refinement procedure
| Resolution | 55.950 - 1.600 |
| R-factor | 0.1881 |
| Rwork | 0.186 |
| R-free | 0.21710 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.631 |
| 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] | 55.940 | 55.940 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.098 | 0.061 | 1.243 |
| Rmeas | 0.107 | 0.067 | 1.531 |
| Rpim | 0.042 | 0.027 | 0.866 |
| Total number of observations | 391689 | 2684 | 8514 |
| Number of reflections | 65678 | 436 | 2761 |
| <I/σ(I)> | 14.2 | 68.9 | 0.8 |
| Completeness [%] | 98.4 | 99.9 | 84.1 |
| Redundancy | 6 | 6.2 | 3.1 |
| CC(1/2) | 0.998 | 0.995 | 0.273 |
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 |
