7KI5
Crystal structure of P[6] rotavirus vp8* in complex with LNT
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 | 2020-06-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.681, 75.354, 74.411 |
| Unit cell angles | 90.00, 91.77, 90.00 |
Refinement procedure
| Resolution | 74.380 - 1.520 |
| R-factor | 0.1753 |
| Rwork | 0.174 |
| R-free | 0.19640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ut9 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.233 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.380 | 74.380 | 1.600 |
| High resolution limit [Å] | 1.520 | 4.800 | 1.520 |
| Rmerge | 0.055 | 0.031 | 0.610 |
| Rmeas | 0.066 | 0.037 | 0.725 |
| Rpim | 0.035 | 0.020 | 0.387 |
| Total number of observations | 317719 | 9944 | 45238 |
| Number of reflections | 92741 | 3023 | 13335 |
| <I/σ(I)> | 12.4 | 27.9 | 2.6 |
| Completeness [%] | 96.1 | 96.1 | 94.9 |
| Redundancy | 3.4 | 3.3 | 3.4 |
| CC(1/2) | 0.998 | 0.998 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 295 | 0.2 M Potassium sodium tartrate tetrahydrate,0.1 M Sodium citrate tribasic dihydrate pH 5.6,2.0 M Ammonium sulfate |
