7EQT
Crystal structure of capsid P domain of norovirus GI.3 DSV 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 | 2020-11-06 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.628, 101.048, 104.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.850 - 2.050 |
R-factor | 0.1812 |
Rwork | 0.179 |
R-free | 0.22510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7eqs |
RMSD bond length | 0.004 |
RMSD bond angle | 1.258 |
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 | 2.090 |
High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
Rmerge | 0.121 | 0.065 | 0.465 |
Rmeas | 0.127 | 0.068 | 0.544 |
Rpim | 0.038 | 0.020 | 0.272 |
Total number of observations | 445899 | ||
Number of reflections | 42161 | 2335 | 1719 |
<I/σ(I)> | 6 | ||
Completeness [%] | 98.0 | 99.6 | 81.7 |
Redundancy | 10.6 | 11.6 | 3.4 |
CC(1/2) | 0.990 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15.5% (w/v) polyethylene glycol 3350, 0.2M Sodium tartrate dibasic dihydrate |