5XGR
Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.612, 212.659, 87.943 |
Unit cell angles | 90.00, 94.76, 90.00 |
Refinement procedure
Resolution | 37.796 - 2.100 |
R-factor | 0.2181 |
Rwork | 0.216 |
R-free | 0.25850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gj4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.062 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.104 | |
Rpim | 0.052 | 0.527 |
Number of reflections | 104555 | |
<I/σ(I)> | 15.355 | |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 5 | 4.8 |
CC(1/2) | 0.998 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M potassium thiocyanate, 20% (w/v) polyethylene glycol 3350 |