8YDP
Crystal structure of the receptor binding domain of SARS-CoV-2 spike protein in complex with Ce9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-12 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 |
| Unit cell lengths | 72.295, 72.295, 100.210 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.120 - 2.300 |
| R-factor | 0.2148 |
| Rwork | 0.212 |
| R-free | 0.26310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.418 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 26011 | 4174 |
| <I/σ(I)> | 13.81 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.6 | |
| CC(1/2) | 0.999 | 0.556 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES (pH 7.5), 10% PEG 8000 |
