5N7M
Protruding domain of GI.1 norovirus in complex with 2-fucosyllactose (2FL)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-24 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 84.070, 84.070, 165.120 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.906 - 1.730 |
R-factor | 0.1619 |
Rwork | 0.160 |
R-free | 0.19130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3by1 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.882 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.906 | 43.906 | 1.830 |
High resolution limit [Å] | 1.730 | 5.150 | 1.730 |
Rmerge | 0.080 | 0.036 | 0.778 |
Rmeas | 0.086 | 0.040 | 0.835 |
Number of reflections | 71336 | 2947 | 11101 |
<I/σ(I)> | 15.88 | 44.4 | 2.12 |
Completeness [%] | 99.5 | 99.6 | 97.1 |
Redundancy | 7.355 | 6.969 | 7.521 |
CC(1/2) | 0.999 | 0.998 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 291 | 0.1 M phosphate citrate, 0.2 M NaCl, 20% PEG8000 |