13YA
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1373445602
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 | 55.218, 83.178, 58.591 |
| Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
| Resolution | 55.550 - 1.600 |
| R-factor | 0.1957 |
| Rwork | 0.194 |
| R-free | 0.22760 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.532 |
| 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] | 83.150 | 83.150 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.095 | 0.032 | 1.922 |
| Rmeas | 0.103 | 0.035 | 2.185 |
| Rpim | 0.040 | 0.014 | 1.020 |
| Total number of observations | 387314 | 2634 | 8622 |
| Number of reflections | 62020 | 429 | 1985 |
| <I/σ(I)> | 11.1 | 67.4 | 0.4 |
| Completeness [%] | 93.9 | 99.2 | 60.4 |
| Redundancy | 6.2 | 6.1 | 4.3 |
| CC(1/2) | 0.997 | 0.999 | 0.402 |
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 |
