13ZW
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z56755030
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 | 2024-11-16 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92202 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.488, 83.137, 59.052 |
| Unit cell angles | 90.00, 108.45, 90.00 |
Refinement procedure
| Resolution | 56.020 - 1.780 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.22640 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.511 |
| 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] | 83.110 | 83.110 | 1.810 |
| High resolution limit [Å] | 1.780 | 9.070 | 1.780 |
| Rmerge | 0.193 | 0.061 | 3.605 |
| Rmeas | 0.209 | 0.067 | 4.018 |
| Rpim | 0.081 | 0.027 | 1.744 |
| Total number of observations | 321704 | 2366 | 13394 |
| Number of reflections | 48302 | 398 | 2605 |
| <I/σ(I)> | 10.6 | 45.9 | 0.8 |
| Completeness [%] | 98.9 | 99.9 | 94.3 |
| Redundancy | 6.7 | 5.9 | 5.1 |
| CC(1/2) | 0.987 | 0.994 | 0.219 |
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 |
