13ZK
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z390185328
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 | 55.569, 84.402, 59.168 |
| Unit cell angles | 90.00, 108.14, 90.00 |
Refinement procedure
| Resolution | 56.230 - 1.380 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.22620 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.539 |
| 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] | 56.230 | 56.230 | 1.410 |
| High resolution limit [Å] | 1.380 | 7.440 | 1.380 |
| Rmerge | 0.050 | 0.039 | 2.406 |
| Rmeas | 0.054 | 0.043 | 3.346 |
| Rpim | 0.021 | 0.018 | 2.318 |
| Total number of observations | 437144 | 4648 | 1053 |
| Number of reflections | 82257 | 721 | 922 |
| <I/σ(I)> | 17.1 | 101.3 | 0.2 |
| Completeness [%] | 77.3 | 99.9 | 16.9 |
| Redundancy | 5.3 | 6.4 | 1.1 |
| CC(1/2) | 0.999 | 0.996 | 0.167 |
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 |
