13ZJ
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z384362790
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) | 0.92202 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.425, 83.533, 58.897 |
| Unit cell angles | 90.00, 108.20, 90.00 |
Refinement procedure
| Resolution | 55.950 - 1.500 |
| R-factor | 0.1834 |
| Rwork | 0.182 |
| R-free | 0.20980 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.733 |
| 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] | 83.530 | 83.530 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.210 | 1.500 |
| Rmerge | 0.063 | 0.049 | 0.851 |
| Rmeas | 0.069 | 0.054 | 1.112 |
| Rpim | 0.027 | 0.022 | 0.703 |
| Total number of observations | 417450 | 3290 | 4689 |
| Number of reflections | 73913 | 532 | 2003 |
| <I/σ(I)> | 20 | 68.1 | 1.1 |
| Completeness [%] | 90.7 | 99.9 | 50.2 |
| Redundancy | 5.6 | 6.2 | 2.3 |
| CC(1/2) | 0.998 | 0.996 | 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 |
