7ER1
Crystal structure of capsid P domain of norovirus GI.3 VA115 complexed with Gala1-3Galb1-4Glc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-02-09 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 57.290, 59.637, 91.419 |
Unit cell angles | 102.28, 96.72, 109.77 |
Refinement procedure
Resolution | 41.290 - 2.200 |
R-factor | 0.1802 |
Rwork | 0.178 |
R-free | 0.21980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7er0 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.321 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.081 | 0.047 | 0.161 |
Rmeas | 0.092 | 0.053 | 0.186 |
Rpim | 0.042 | 0.024 | 0.091 |
Total number of observations | 236380 | ||
Number of reflections | 52013 | 2713 | 1999 |
<I/σ(I)> | 11 | ||
Completeness [%] | 94.5 | 99 | 73.4 |
Redundancy | 4.5 | 4.8 | 3.6 |
CC(1/2) | 0.997 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 0.2M Sodium formate pH 6.4, 17% (w/v) Polyethylene glycol 3350 |