5J35
Protruding domain of GII.4 human norovirus NSW0514 in complex with 2-fucosyllactose (2'FL)
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 | 2015-09-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.87260 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.450, 55.730, 115.750 |
Unit cell angles | 90.00, 107.17, 90.00 |
Refinement procedure
Resolution | 46.711 - 1.470 |
R-factor | 0.1645 |
Rwork | 0.163 |
R-free | 0.19150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oos |
RMSD bond length | 0.009 |
RMSD bond angle | 1.308 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.711 | 1.260 | |
High resolution limit [Å] | 1.230 | 5.500 | 1.230 |
Rmerge | 0.052 | 0.025 | 0.500 |
Number of reflections | 172603 | ||
<I/σ(I)> | 6.83 | 15.38 | 1.88 |
Completeness [%] | 98.2 | 97.3 | 93.6 |
Redundancy | 2.9 | ||
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 3350, Sodium formate |