13ZF
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z374427992
This is a non-PDB format compatible entry.
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 | 55.422, 83.427, 58.739 |
| Unit cell angles | 90.00, 108.79, 90.00 |
Refinement procedure
| Resolution | 41.750 - 1.660 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.21380 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.601 |
| 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] | 41.710 | 41.710 | 1.690 |
| High resolution limit [Å] | 1.660 | 9.090 | 1.660 |
| Rmerge | 0.112 | 0.076 | 1.610 |
| Rmeas | 0.122 | 0.084 | 1.848 |
| Rpim | 0.047 | 0.036 | 0.890 |
| Total number of observations | 371320 | 2332 | 11793 |
| Number of reflections | 59755 | 386 | 2886 |
| <I/σ(I)> | 12.1 | 56.5 | 0.7 |
| Completeness [%] | 99.8 | 98.9 | 97.5 |
| Redundancy | 6.2 | 6 | 4.1 |
| CC(1/2) | 0.995 | 0.952 | 0.352 |
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 |
