8PAB
Structures of the ectodomains of Atypical porcine pestivirus solved by long wavelength sulphur SAD
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 70 |
| Detector technology | PIXEL |
| Collection date | 2019-05-20 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 2.7552 |
| Spacegroup name | H 3 |
| Unit cell lengths | 101.330, 101.330, 43.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.660 - 1.800 |
| R-factor | 0.1832 |
| Rwork | 0.181 |
| R-free | 0.22900 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.821 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | HKL2Map |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.660 | 1.865 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.063 | 0.502 |
| Rmeas | 0.065 | 0.542 |
| Rpim | 0.013 | 0.197 |
| Number of reflections | 15203 | 1454 |
| <I/σ(I)> | 26.38 | 2.49 |
| Completeness [%] | 99.3 | 92.92 |
| Redundancy | 16.9 | 6.7 |
| CC(1/2) | 1.000 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1M Bis Tris pH 5.5, 0.2 M ammonium sulphate, 25% PEG 3350 |
