13ZQ
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z509756472
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 | 55.543, 84.512, 59.175 |
| Unit cell angles | 90.00, 108.02, 90.00 |
Refinement procedure
| Resolution | 56.270 - 1.800 |
| R-factor | 0.2115 |
| Rwork | 0.209 |
| R-free | 0.25940 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.547 |
| 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] | 56.250 | 56.250 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.010 | 1.800 |
| Rmerge | 0.163 | 0.088 | 3.156 |
| Rmeas | 0.177 | 0.097 | 3.515 |
| Rpim | 0.068 | 0.040 | 1.525 |
| Total number of observations | 319942 | 2510 | 14547 |
| Number of reflections | 48030 | 416 | 2795 |
| <I/σ(I)> | 7.1 | 35.9 | 0.4 |
| Completeness [%] | 99.9 | 99.9 | 97.9 |
| Redundancy | 6.7 | 6 | 5.2 |
| CC(1/2) | 0.994 | 0.988 | 0.372 |
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 |
