13ZN
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z432057220
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 | 55.555, 84.612, 59.227 |
| Unit cell angles | 90.00, 108.15, 90.00 |
Refinement procedure
| Resolution | 56.280 - 1.760 |
| R-factor | 0.242 |
| Rwork | 0.239 |
| R-free | 0.29170 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.489 |
| 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] | 56.260 | 56.260 | 1.800 |
| High resolution limit [Å] | 1.760 | 8.980 | 1.760 |
| Rmerge | 0.139 | 0.054 | 2.948 |
| Rmeas | 0.151 | 0.060 | 3.299 |
| Rpim | 0.058 | 0.025 | 1.452 |
| Total number of observations | 337732 | 2540 | 14368 |
| Number of reflections | 51503 | 418 | 2915 |
| <I/σ(I)> | 7.5 | 60.8 | 0.2 |
| Completeness [%] | 99.9 | 99.9 | 97.8 |
| Redundancy | 6.6 | 6.1 | 4.9 |
| CC(1/2) | 0.996 | 0.978 | 0.433 |
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 |
