13YX
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z274555794
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 | 55.322, 83.219, 58.635 |
| Unit cell angles | 90.00, 108.39, 90.00 |
Refinement procedure
| Resolution | 46.300 - 1.550 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.22330 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.578 |
| 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] | 46.230 | 46.230 | 1.580 |
| High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
| Rmerge | 0.090 | 0.070 | 1.583 |
| Rmeas | 0.098 | 0.077 | 1.971 |
| Rpim | 0.039 | 0.030 | 1.139 |
| Total number of observations | 401022 | 2907 | 6674 |
| Number of reflections | 69755 | 469 | 2385 |
| <I/σ(I)> | 11.1 | 50 | 0.4 |
| Completeness [%] | 95.6 | 99.7 | 66.3 |
| Redundancy | 5.7 | 6.2 | 2.8 |
| CC(1/2) | 0.998 | 0.995 | 0.316 |
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 |
