7WD2
Crystal structure of S43 bound to SARS-CoV-2 RBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 291 |
| Detector technology | PIXEL |
| Collection date | 2021-07-02 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.279, 138.886, 122.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.200 - 2.690 |
| R-factor | 0.2051 |
| Rwork | 0.204 |
| R-free | 0.22930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lzg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.603 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.690 | 2.700 |
| Rmerge | 0.176 | 0.796 |
| Number of reflections | 24629 | 2441 |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M Lithium sulfate, 0.1M Tris (pH 8.5), 30% w/v PEG 4000 |
