13YT
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z2092555279
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 | 55.516, 83.893, 58.924 |
| Unit cell angles | 90.00, 108.20, 90.00 |
Refinement procedure
| Resolution | 55.970 - 1.710 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.22520 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.540 |
| 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] | 55.970 | 55.970 | 1.740 |
| High resolution limit [Å] | 1.710 | 9.060 | 1.710 |
| Rmerge | 0.141 | 0.061 | 1.857 |
| Rmeas | 0.153 | 0.067 | 2.113 |
| Rpim | 0.059 | 0.028 | 0.985 |
| Total number of observations | 354468 | 2422 | 12820 |
| Number of reflections | 55178 | 403 | 2820 |
| <I/σ(I)> | 11.1 | 59.3 | 0.7 |
| Completeness [%] | 99.8 | 99.9 | 96.6 |
| Redundancy | 6.4 | 6 | 4.5 |
| CC(1/2) | 0.996 | 0.991 | 0.302 |
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 |
