8WKU
Complex structure of MjHKU4r-CoV-1 spike RBD bound to human CD26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 127.501, 127.501, 245.633 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.780 - 3.500 |
R-factor | 0.2293 |
Rwork | 0.211 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4qzv |
RMSD bond length | 0.004 |
RMSD bond angle | 0.679 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.710 |
High resolution limit [Å] | 3.500 | 3.500 |
Number of reflections | 54034 | 6746 |
<I/σ(I)> | 10.31 | |
Completeness [%] | 95.9 | |
Redundancy | 7 | |
CC(1/2) | 0.995 | 0.625 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Amino acids, 0.1 M buffer system 3 (Tris base; Bicine) and 30% v/v EDO_P8K |