7L4Z
Structure of SARS-CoV-2 spike RBD in complex with cyclic peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-04 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 284.920, 284.920, 156.016 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.390 - 3.960 |
| R-factor | 0.2578 |
| Rwork | 0.257 |
| R-free | 0.28160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m0j |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.737 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.850 | 4.280 |
| High resolution limit [Å] | 3.960 | 3.960 |
| Number of reflections | 21115 | 4246 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 99.6 | 98.2 |
| Redundancy | 19.4 | 19.3 |
| CC(1/2) | 0.996 | 0.959 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200 mM ammonium sulfate, 24% PEG 4000, 12% glycerol |
