5GNB
Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 2.3 angstrom, native-SAD phasing)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-09 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 2.08 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 86.720, 183.990, 63.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.200 - 2.300 |
R-factor | 0.1751 |
Rwork | 0.173 |
R-free | 0.21920 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.854 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXCD |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.200 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.230 | 1.280 |
Number of reflections | 43316 | |
<I/σ(I)> | 28.04 | 3.37 |
Completeness [%] | 99.5 | 93.9 |
Redundancy | 89.76 | 30.92 |
CC(1/2) | 0.999 | 0.894 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1M Tris, 24%PEG4000, 0.2M MgCl2, 4% v/v Pentaerythritol ethoxylate (3/4 EO/OH) |