5IYR
Protruding domain of GII.4 human norovirus CHDC2094 in complex with 2-fucosyllactose (2'FL)
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 | CCD |
Collection date | 2015-09-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97625 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 90.290, 106.470, 135.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.437 - 1.540 |
R-factor | 0.138 |
Rwork | 0.136 |
R-free | 0.17040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iyn |
RMSD bond length | 0.009 |
RMSD bond angle | 1.219 |
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] | 43.440 | 1.570 | |
High resolution limit [Å] | 1.530 | 6.830 | 1.530 |
Rmerge | 0.143 | 0.056 | 0.760 |
Number of reflections | 96406 | ||
<I/σ(I)> | 10.63 | 24.41 | 2.58 |
Completeness [%] | 97.5 | 98.4 | 92.7 |
Redundancy | 7.2 | ||
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | Sodium citrate, PEG3350 |