6GY9
Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9724 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.280, 80.370, 71.510 |
Unit cell angles | 90.00, 101.66, 90.00 |
Refinement procedure
Resolution | 34.170 - 1.830 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.23240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3onu |
RMSD bond length | 0.007 |
RMSD bond angle | 0.803 |
Data reduction software | XDS (VERSION Jun 1, 2017) |
Data scaling software | XSCALE (VERSION Jun 1, 2017) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.020 | 1.890 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.041 | 0.519 |
Rmeas | 0.051 | 0.645 |
Rpim | 0.029 | 0.377 |
Number of reflections | 61315 | 6006 |
<I/σ(I)> | 15.92 | 2.03 |
Completeness [%] | 93.5 | 92.57 |
Redundancy | 2.7 | 2.7 |
CC(1/2) | 0.999 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M sodium nitrate, 0.1 M bis-tris propane (pH7.5), 20% (w/v) PEG3350 |