8DTT
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.855, 65.973, 197.651 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.620 - 1.750 |
R-factor | 0.1961 |
Rwork | 0.195 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7sjs |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
Rmerge | 0.138 | 0.105 | 0.648 |
Rmeas | 0.144 | 0.110 | 0.768 |
Rpim | 0.043 | 0.033 | 0.403 |
Total number of observations | 801686 | ||
Number of reflections | 81566 | 4716 | 2454 |
<I/σ(I)> | 5.1 | ||
Completeness [%] | 92.6 | 99.9 | 56.6 |
Redundancy | 9.8 | 11.5 | 3.4 |
CC(1/2) | 0.995 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 0.2M sodium chloride, 0.1M Tris, pH7, 30% PEG3000 |