13ZU
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z55993012
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 | 55.464, 84.571, 59.074 |
| Unit cell angles | 90.00, 108.03, 90.00 |
Refinement procedure
| Resolution | 56.170 - 1.510 |
| R-factor | 0.2041 |
| Rwork | 0.202 |
| R-free | 0.23800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.488 |
| 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] | 84.510 | 84.510 | 1.530 |
| High resolution limit [Å] | 1.510 | 8.260 | 1.510 |
| Rmerge | 0.052 | 0.032 | 2.370 |
| Rmeas | 0.057 | 0.036 | 2.859 |
| Rpim | 0.023 | 0.015 | 1.567 |
| Total number of observations | 423550 | 3297 | 5143 |
| Number of reflections | 71453 | 531 | 1651 |
| <I/σ(I)> | 17.2 | 95.6 | 0.2 |
| Completeness [%] | 87.9 | 99.9 | 41.4 |
| Redundancy | 5.9 | 6.2 | 3.1 |
| CC(1/2) | 0.997 | 0.996 | 0.318 |
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 |
