6GW2
GII.10 human norovirus protruding domain in complex with taurochenodeoxycholate (TCDCA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.973720 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 79.830, 87.910, 108.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.118 - 2.050 |
R-factor | 0.1713 |
Rwork | 0.170 |
R-free | 0.20630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3onu |
RMSD bond length | 0.005 |
RMSD bond angle | 0.685 |
Data reduction software | XDS (VERSION Jun 1, 2017) |
Data scaling software | XSCALE (VERSION Jun 1, 2017) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.120 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.098 | 0.648 |
Rmeas | 0.107 | 0.706 |
Rpim | 0.042 | 0.278 |
Number of reflections | 48586 | 4669 |
<I/σ(I)> | 11.02 | 2.26 |
Completeness [%] | 99.7 | 97.33 |
Redundancy | 6.3 | 6.3 |
CC(1/2) | 0.997 | 0.793 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0,1M Magnesium acetate tetrahydrate 0,1M Sodium citrate pH 5,8 14% w/v PEG 5000 MME |