13YI
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1730522163
This is a non-PDB format compatible entry.
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 | 55.340, 83.267, 58.776 |
| Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
| Resolution | 55.720 - 1.390 |
| R-factor | 0.1834 |
| Rwork | 0.182 |
| R-free | 0.20510 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.789 |
| 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] | 83.260 | 83.260 | 1.410 |
| High resolution limit [Å] | 1.390 | 7.610 | 1.390 |
| Rmerge | 0.049 | 0.054 | 0.629 |
| Rmeas | 0.054 | 0.061 | 0.883 |
| Rpim | 0.022 | 0.026 | 0.619 |
| Total number of observations | 423803 | 4160 | 1222 |
| Number of reflections | 82660 | 653 | 1023 |
| <I/σ(I)> | 26.2 | 87.9 | 1 |
| Completeness [%] | 81.4 | 99.9 | 20.5 |
| Redundancy | 5.1 | 6.4 | 1.2 |
| CC(1/2) | 0.998 | 0.977 | 0.311 |
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 |
