5VKI
Crystal structure of P[19] rotavirus VP8* complexed with mucin core 2
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 | CCD |
| Collection date | 2017-03-22 |
| Detector | RAYONIX MX-225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | I 41 |
| Unit cell lengths | 115.861, 115.861, 101.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.550 - 1.900 |
| R-factor | 0.2218 |
| Rwork | 0.221 |
| R-free | 0.24050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gj6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.512 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.550 | 32.550 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.182 | 0.057 | 0.794 |
| Rmeas | 0.195 | 0.076 | 0.062 |
| Rpim | 0.071 | 0.028 | 0.023 |
| Total number of observations | 401407 | 12299 | 57932 |
| Number of reflections | 52865 | ||
| <I/σ(I)> | 7.2 | 16.8 | 2.4 |
| Completeness [%] | 100.0 | 98.7 | 100 |
| Redundancy | 7.6 | 7.3 | 7.5 |
| CC(1/2) | 0.993 | 0.997 | 0.831 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 0.5 M ammonium sulfate, 0.1 M sodium citrate tribasic dihydrate, pH 5.6, 1.0 M lithium sulfate monohydrate |
