13XL
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1143279263
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) | 0.92201 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.470, 83.640, 59.070 |
| Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
| Resolution | 40.500 - 1.640 |
| R-factor | 0.2042 |
| Rwork | 0.202 |
| R-free | 0.23980 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.498 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.8.2) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.470 | 40.470 | 1.680 |
| High resolution limit [Å] | 1.640 | 7.330 | 1.640 |
| Rmerge | 0.091 | 0.041 | 1.821 |
| Rmeas | 0.099 | 0.045 | 2.140 |
| Rpim | 0.039 | 0.018 | 1.093 |
| Total number of observations | 380926 | 4587 | 16962 |
| Number of reflections | 62658 | 731 | 4574 |
| <I/σ(I)> | 9.9 | 36 | 0.7 |
| Completeness [%] | 99.8 | 98.7 | 98.2 |
| Redundancy | 6.1 | 6.3 | 3.7 |
| CC(1/2) | 0.998 | 0.998 | 0.365 |
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 |
