6LZG
Structure of novel coronavirus spike receptor-binding domain complexed with its receptor ACE2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 104.448, 104.448, 229.786 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.500 - 2.500 |
| R-factor | 0.1898 |
| Rwork | 0.188 |
| R-free | 0.21560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ajf |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.830 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.129 | |
| Number of reflections | 44981 | 4384 |
| <I/σ(I)> | 26.7 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.6 | 22.3 |
| CC(1/2) | 0.999 | 0.867 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M MES pH 6.5,10%w/v PEG 5000 MME,12% v/v 1-propanol |
