13XV
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1250129088
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 | 2024-11-14 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92204 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.484, 83.734, 58.930 |
| Unit cell angles | 90.00, 108.21, 90.00 |
Refinement procedure
| Resolution | 41.900 - 1.530 |
| R-factor | 0.1903 |
| Rwork | 0.189 |
| R-free | 0.22140 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.589 |
| 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] | 41.860 | 41.860 | 1.560 |
| High resolution limit [Å] | 1.530 | 8.380 | 1.530 |
| Rmerge | 0.065 | 0.041 | 1.215 |
| Rmeas | 0.071 | 0.046 | 1.551 |
| Rpim | 0.028 | 0.019 | 0.939 |
| Total number of observations | 414162 | 3036 | 5968 |
| Number of reflections | 72074 | 486 | 2226 |
| <I/σ(I)> | 18.4 | 93 | 0.6 |
| Completeness [%] | 93.5 | 99.1 | 58.8 |
| Redundancy | 5.7 | 6.2 | 2.7 |
| CC(1/2) | 0.997 | 0.980 | 0.344 |
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 |
