13YJ
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1891773476
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) | 0.92203 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.463, 83.524, 58.826 |
| Unit cell angles | 90.00, 108.34, 90.00 |
Refinement procedure
| Resolution | 55.840 - 1.620 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.22500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.580 |
| 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] | 55.820 | 55.820 | 1.650 |
| High resolution limit [Å] | 1.620 | 8.870 | 1.620 |
| Rmerge | 0.093 | 0.057 | 1.515 |
| Rmeas | 0.101 | 0.063 | 1.816 |
| Rpim | 0.040 | 0.026 | 0.970 |
| Total number of observations | 387107 | 2568 | 8995 |
| Number of reflections | 64337 | 424 | 2772 |
| <I/σ(I)> | 13.7 | 66.8 | 0.7 |
| Completeness [%] | 99.3 | 99.9 | 87.1 |
| Redundancy | 6 | 6.1 | 3.2 |
| CC(1/2) | 0.997 | 0.980 | 0.334 |
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 |
