5J3O
Protruding domain of GII.4 human norovirus NSW0514 in complex with 3-fucosyllactose (3FL)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.96770 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.070, 55.570, 115.510 |
Unit cell angles | 90.00, 107.28, 90.00 |
Refinement procedure
Resolution | 42.716 - 1.470 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.20050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oos |
RMSD bond length | 0.007 |
RMSD bond angle | 1.262 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.720 | 1.350 | |
High resolution limit [Å] | 1.320 | 5.890 | 1.320 |
Rmerge | 0.092 | 0.060 | 0.365 |
Number of reflections | 137290 | ||
<I/σ(I)> | 8.17 | 16.16 | 2.26 |
Completeness [%] | 97.0 | 99.2 | 69.9 |
Redundancy | 3.9 | ||
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 3350, Sodium formate |