8TMY
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CHM-16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-08 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92010 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 73.456, 73.677, 330.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.060 - 3.070 |
R-factor | 0.246 |
Rwork | 0.243 |
R-free | 0.28630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.584 |
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 | 3.140 |
High resolution limit [Å] | 3.070 | 8.380 | 3.090 |
Rmerge | 0.190 | 0.070 | 0.593 |
Rmeas | 0.202 | 0.073 | 0.678 |
Rpim | 0.065 | 0.020 | 0.314 |
Number of reflections | 32403 | 1909 | 1036 |
<I/σ(I)> | 3.1 | ||
Completeness [%] | 94.8 | 100 | 62.9 |
Redundancy | 8.9 | 12.8 | 3.2 |
CC(1/2) | 0.981 | 0.999 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium cacodylate pH 6.5, and 1 M sodium citrate |