6OAI
Crystal structure of P[6] rotavirus vp8* complexed with LNFPI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.690, 75.870, 74.927 |
| Unit cell angles | 90.00, 91.86, 90.00 |
Refinement procedure
| Resolution | 45.950 - 1.900 |
| R-factor | 0.1972 |
| Rwork | 0.195 |
| R-free | 0.24980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6niw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.563 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.890 | 74.890 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.000 | 1.900 |
| Rmerge | 0.073 | 0.024 | 0.363 |
| Rmeas | 0.087 | 0.029 | 0.438 |
| Rpim | 0.046 | 0.016 | 0.240 |
| Total number of observations | 164606 | ||
| Number of reflections | 48808 | 1615 | 7016 |
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 97.3 | 97.9 | 96.4 |
| Redundancy | 3.4 | 3.3 | 3.2 |
| CC(1/2) | 0.998 | 0.999 | 0.867 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.5 M Ammonium sulfate, 0.1 M Sodium citrate tribasic dihydrate, 1.0 M Lithium sulfate monohydrate |
