13ZR
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z53860899
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 | 55.446, 83.773, 58.984 |
| Unit cell angles | 90.00, 108.17, 90.00 |
Refinement procedure
| Resolution | 52.740 - 1.500 |
| R-factor | 0.1926 |
| Rwork | 0.191 |
| R-free | 0.22490 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.574 |
| 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] | 83.770 | 83.770 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.080 | 1.500 |
| Rmerge | 0.108 | 0.070 | 1.855 |
| Rmeas | 0.117 | 0.076 | 2.207 |
| Rpim | 0.045 | 0.030 | 1.179 |
| Total number of observations | 419221 | 3537 | 5007 |
| Number of reflections | 69737 | 555 | 1496 |
| <I/σ(I)> | 9.1 | 38.4 | 0.3 |
| Completeness [%] | 85.2 | 99.3 | 35.9 |
| Redundancy | 6 | 6.4 | 3.3 |
| CC(1/2) | 0.995 | 0.996 | 0.338 |
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 |
