13ZZ
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z57328552
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 | 55.473, 83.479, 59.046 |
| Unit cell angles | 90.00, 108.20, 90.00 |
Refinement procedure
| Resolution | 46.600 - 1.520 |
| R-factor | 0.2092 |
| Rwork | 0.207 |
| R-free | 0.24180 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.569 |
| 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] | 46.550 | 46.550 | 1.550 |
| High resolution limit [Å] | 1.520 | 8.320 | 1.520 |
| Rmerge | 0.083 | 0.097 | 1.369 |
| Rmeas | 0.091 | 0.107 | 1.814 |
| Rpim | 0.036 | 0.044 | 1.170 |
| Total number of observations | 415896 | 3099 | 5543 |
| Number of reflections | 74844 | 504 | 2440 |
| <I/σ(I)> | 11.7 | 41.8 | 0.5 |
| Completeness [%] | 95.4 | 99.7 | 63.6 |
| Redundancy | 5.6 | 6.1 | 2.3 |
| CC(1/2) | 0.994 | 0.970 | 0.571 |
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 |
