3PUN
Crystal structure of P domain dimer of Norovirus VA207 with Lewis y tetrasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-11-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.168, 96.123, 101.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.806 - 2.050 |
R-factor | 0.1857 |
Rwork | 0.185 |
R-free | 0.20380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pum |
RMSD bond length | 0.008 |
RMSD bond angle | 1.069 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.3) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
Rmerge | 0.076 | 0.043 | 0.530 |
Number of reflections | 42294 | ||
<I/σ(I)> | 15.8 | ||
Completeness [%] | 99.9 | 98.9 | 100 |
Redundancy | 6.4 | 6.3 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 289 | 10% (w/v) PEG 3350, 50mM magnesium formate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 289K |