8CWJ
Fab arms of antibodies 4C12-B12 and CR3022 bound to pangolin receptor binding domain (pRBD)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9536 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 157.433, 144.097, 168.842 |
Unit cell angles | 90.00, 117.51, 90.00 |
Refinement procedure
Resolution | 48.690 - 2.449 |
R-factor | 0.1979 |
Rwork | 0.196 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | generic RBD and Fab |
RMSD bond length | 0.002 |
RMSD bond angle | 0.640 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.11.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.690 | 48.690 | 2.490 |
High resolution limit [Å] | 2.449 | 13.410 | 2.450 |
Rmerge | 0.110 | 0.041 | 1.151 |
Rmeas | 0.119 | 0.044 | 1.239 |
Rpim | 0.044 | 0.017 | 0.457 |
Total number of observations | 5170 | 44038 | |
Number of reflections | 122620 | 765 | 6080 |
<I/σ(I)> | 11.8 | 42.7 | 1.4 |
Completeness [%] | 100.0 | 97.8 | 100 |
Redundancy | 7 | 6.8 | 7.2 |
CC(1/2) | 0.998 | 0.998 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Equal volumes of protein complex (1:1:1 molar ratio, at ~ 5 mg/mL, in 25 mM Tris (pH 8.0), 200 mM NaCl) were combined with well solution (200 mM sodium citrate (pH 5.6), 12% (w/v) PEG6000). |