13YS
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z204776284
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 | 55.446, 83.889, 59.050 |
| Unit cell angles | 90.00, 108.26, 90.00 |
Refinement procedure
| Resolution | 56.080 - 1.410 |
| R-factor | 0.2007 |
| Rwork | 0.199 |
| R-free | 0.23300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.595 |
| 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] | 83.880 | 83.880 | 1.430 |
| High resolution limit [Å] | 1.410 | 7.720 | 1.410 |
| Rmerge | 0.047 | 0.039 | 1.530 |
| Rmeas | 0.052 | 0.043 | 2.063 |
| Rpim | 0.021 | 0.018 | 1.372 |
| Total number of observations | 431174 | 4080 | 1895 |
| Number of reflections | 80621 | 636 | 1247 |
| <I/σ(I)> | 19.1 | 95.2 | 0.2 |
| Completeness [%] | 81.6 | 99.9 | 25.5 |
| Redundancy | 5.3 | 6.4 | 1.5 |
| CC(1/2) | 0.999 | 0.997 | 0.428 |
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 |
