8QZR
SARS-CoV-2 delta RBD complexed with BA.4/5-9 Fab
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 | 2023-07-01 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97624 |
Spacegroup name | I 2 3 |
Unit cell lengths | 251.576, 251.576, 251.576 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.300 - 3.770 |
R-factor | 0.2531 |
Rwork | 0.251 |
R-free | 0.29970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.524 |
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] | 60.000 | 3.840 |
High resolution limit [Å] | 3.770 | 3.770 |
Rmerge | 0.414 | |
Rpim | 0.065 | |
Number of reflections | 26729 | 1322 |
<I/σ(I)> | 8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 41.8 | |
CC(1/2) | 0.998 | 0.351 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M BIS-TRIS pH 6.5, 2% v/v Polyethylene glycol monomethyl ether 550, 1.8 M Ammonium sulfate |