13XP
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1203191681
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 | 2024-11-14 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92204 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.599, 83.807, 59.073 |
| Unit cell angles | 90.00, 108.27, 90.00 |
Refinement procedure
| Resolution | 41.940 - 1.600 |
| R-factor | 0.1849 |
| Rwork | 0.183 |
| R-free | 0.21180 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.602 |
| 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] | 41.920 | 41.920 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.074 | 0.052 | 1.177 |
| Rmeas | 0.081 | 0.058 | 1.456 |
| Rpim | 0.032 | 0.024 | 0.828 |
| Total number of observations | 397672 | 2661 | 8647 |
| Number of reflections | 66485 | 440 | 2560 |
| <I/σ(I)> | 17.9 | 80 | 1.1 |
| Completeness [%] | 98.0 | 99 | 76.6 |
| Redundancy | 6 | 6 | 3.4 |
| CC(1/2) | 0.998 | 0.991 | 0.279 |
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 |
