13YH
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z169675004
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 | 55.336, 83.102, 58.769 |
| Unit cell angles | 90.00, 108.53, 90.00 |
Refinement procedure
| Resolution | 55.720 - 1.670 |
| R-factor | 0.1833 |
| Rwork | 0.182 |
| R-free | 0.21530 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.667 |
| 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] | 83.120 | 83.120 | 1.700 |
| High resolution limit [Å] | 1.670 | 9.000 | 1.670 |
| Rmerge | 0.142 | 0.066 | 1.806 |
| Rmeas | 0.155 | 0.073 | 2.061 |
| Rpim | 0.061 | 0.030 | 0.977 |
| Total number of observations | 365615 | 2471 | 11903 |
| Number of reflections | 58356 | 409 | 2810 |
| <I/σ(I)> | 19 | 75 | 1.9 |
| Completeness [%] | 99.8 | 99.9 | 95.3 |
| Redundancy | 6.3 | 6 | 4.2 |
| CC(1/2) | 0.990 | 0.994 | 0.424 |
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 |
