8QRG
SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-08-08 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.514, 104.647, 110.014 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.690 - 2.300 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.22780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.686 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 110.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.088 | 0.584 |
Rpim | 0.743 | |
Number of reflections | 38675 | 1109 |
<I/σ(I)> | 17.9 | 1.2 |
Completeness [%] | 91.1 | |
Redundancy | 10.5 | |
CC(1/2) | 0.999 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2% (v/v) 1,4-Dioxane, 0.1 M Tris pH 8.0 and 15% (w/v) PEG 3350 |