8QRF
SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs
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 | 2023-09-17 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97627 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 189.106, 146.544, 51.158 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.920 - 3.700 |
R-factor | 0.2745 |
Rwork | 0.272 |
R-free | 0.31690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.594 |
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] | 63.000 | 3.760 |
High resolution limit [Å] | 3.700 | 3.700 |
Rmerge | 0.780 | |
Rpim | 0.221 | |
Number of reflections | 15935 | 740 |
<I/σ(I)> | 4.8 | 0.5 |
Completeness [%] | 100.0 | |
Redundancy | 13.3 | |
CC(1/2) | 0.948 | 0.230 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M citric acid pH 3.5 and 28% (w/v) PEG 8000 |