7NP1
Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-360
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-05 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.965459 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.049, 107.899, 181.628 |
Unit cell angles | 90.00, 99.45, 90.00 |
Refinement procedure
Resolution | 48.280 - 2.800 |
R-factor | 0.2369 |
Rwork | 0.232 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bnv |
RMSD bond length | 0.004 |
RMSD bond angle | 0.802 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PDB-REDO (v1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.330 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.063 | |
Number of reflections | 85521 | 8446 |
<I/σ(I)> | 5.79 | |
Completeness [%] | 99.8 | |
Redundancy | 2 | |
CC(1/2) | 0.993 | 0.494 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 16% PEG3350 0.2 M ammonium citrate tribasic |