7JXE
Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-07-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 56.510, 56.510, 252.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.045 - 2.043 |
R-factor | 0.2014 |
Rwork | 0.199 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nb8 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.549 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.045 | 84.060 | 2.150 |
High resolution limit [Å] | 2.043 | 6.460 | 2.043 |
Rmerge | 0.057 | 1.742 | |
Rmeas | 0.166 | 0.059 | 1.787 |
Rpim | 0.035 | 0.013 | 0.389 |
Total number of observations | 564731 | ||
Number of reflections | 27080 | 1046 | 3744 |
<I/σ(I)> | 13.1 | 10.2 | 0.4 |
Completeness [%] | 99.5 | 100 | 97 |
Redundancy | 20.9 | 20.3 | 18.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.16 M magnesium chloride, 0.08 M Tris-HCl, pH 8.5, 24% w/v PEG4000 |