13ZV
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z56040660
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 | 55.551, 84.067, 59.091 |
| Unit cell angles | 90.00, 108.10, 90.00 |
Refinement procedure
| Resolution | 56.170 - 1.590 |
| R-factor | 0.2137 |
| Rwork | 0.212 |
| R-free | 0.24290 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.436 |
| 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] | 84.040 | 84.040 | 1.620 |
| High resolution limit [Å] | 1.590 | 8.560 | 1.590 |
| Rmerge | 0.077 | 0.044 | 2.011 |
| Rmeas | 0.084 | 0.048 | 2.500 |
| Rpim | 0.033 | 0.020 | 1.441 |
| Total number of observations | 402847 | 2921 | 8661 |
| Number of reflections | 68630 | 475 | 3030 |
| <I/σ(I)> | 11.9 | 80.3 | 0.2 |
| Completeness [%] | 98.9 | 99.9 | 86.1 |
| Redundancy | 5.9 | 6.1 | 2.9 |
| CC(1/2) | 0.997 | 0.984 | 0.337 |
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 |
