7ZXU
SARS-CoV-2 Omicron BA.4/5 RBD in complex with Beta-27 Fab and C1 nanobody
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 | 2022-05-19 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.106, 100.436, 105.443 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.750 - 1.890 |
R-factor | 0.1822 |
Rwork | 0.181 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ps1 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.539 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.000 | 1.920 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.313 | |
Rpim | 0.061 | 0.848 |
Number of reflections | 72125 | 3536 |
<I/σ(I)> | 7.7 | 0.5 |
Completeness [%] | 100.0 | |
Redundancy | 27.4 | |
CC(1/2) | 0.996 | 0.418 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 4% (v/v) 2-propanol, 0.1M BIS-Tris propane, pH9.0, 20% (w/v) PEG monomethyl ether 5000 |