6UT9
Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265
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 | 2019-07-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.040, 32.448, 50.997 |
| Unit cell angles | 90.00, 94.64, 90.00 |
Refinement procedure
| Resolution | 50.830 - 1.210 |
| R-factor | 0.1886 |
| Rwork | 0.187 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6niw |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.470 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.830 | 50.830 | 1.270 |
| High resolution limit [Å] | 1.210 | 3.820 | 1.210 |
| Rmerge | 0.053 | 0.034 | 0.434 |
| Rmeas | 0.063 | 0.040 | 0.521 |
| Rpim | 0.034 | 0.022 | 0.282 |
| Total number of observations | 148616 | 4808 | 21991 |
| Number of reflections | 44980 | 1478 | 6692 |
| <I/σ(I)> | 10.5 | 27.1 | 2.5 |
| Completeness [%] | 95.1 | 93.7 | 97.6 |
| Redundancy | 3.3 | 3.3 | 3.3 |
| CC(1/2) | 0.998 | 0.998 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |
