6VKX
Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851
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 | 2019-12-06 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.999, 63.248, 71.941 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 32.170 - 1.710 |
| R-factor | 0.1993 |
| Rwork | 0.198 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6niw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.321 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.000 | 56.000 | 1.800 |
| High resolution limit [Å] | 1.710 | 5.410 | 1.710 |
| Rmerge | 0.055 | 0.025 | 0.464 |
| Rmeas | 0.065 | 0.029 | 0.551 |
| Rpim | 0.035 | 0.016 | 0.294 |
| Total number of observations | 159999 | 5567 | 25986 |
| Number of reflections | 48913 | 1713 | 7683 |
| <I/σ(I)> | 12.7 | 31.4 | 2.4 |
| Completeness [%] | 90.0 | 96.1 | 97.4 |
| Redundancy | 3.3 | 3.2 | 3.4 |
| CC(1/2) | 0.998 | 0.999 | 0.799 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 295 | 0.1 M HEPES sodium pH 7.5, 2% v/v PEG 400, 2.0 M ammonium sulfate |
