13ZP
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z45527714
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 | 2024-11-16 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92202 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.506, 84.983, 59.179 |
| Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
| Resolution | 56.280 - 1.720 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.22970 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.478 |
| 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] | 85.000 | 85.000 | 1.750 |
| High resolution limit [Å] | 1.720 | 9.100 | 1.720 |
| Rmerge | 0.137 | 0.066 | 4.010 |
| Rmeas | 0.149 | 0.073 | 4.494 |
| Rpim | 0.058 | 0.031 | 1.995 |
| Total number of observations | 357287 | 2401 | 13537 |
| Number of reflections | 55497 | 401 | 2930 |
| <I/σ(I)> | 17.1 | 71.5 | 1.2 |
| Completeness [%] | 99.9 | 99.9 | 98.8 |
| Redundancy | 6.4 | 6 | 4.6 |
| CC(1/2) | 0.993 | 0.991 | 0.295 |
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 |
