7L2C
Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.791, 115.785, 137.606 |
Unit cell angles | 90.00, 99.97, 90.00 |
Refinement procedure
Resolution | 88.030 - 3.650 |
R-factor | 0.2191 |
Rwork | 0.216 |
R-free | 0.27180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c2l |
RMSD bond length | 0.009 |
RMSD bond angle | 1.481 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.030 | 3.650 |
High resolution limit [Å] | 3.440 | 3.440 |
Number of reflections | 25964 | 5916 |
<I/σ(I)> | 2.57 | |
Completeness [%] | 93.3 | |
Redundancy | 1.9 | |
CC(1/2) | 0.883 | 0.440 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.16 M Calcium Acetate, 0.08 M Sodium Cacodylate, 14.4% PEG 8000, 20% Glycerol |