7DMU
Structure of SARS-CoV-2 spike receptor-binding domain complexed with high affinity ACE2 mutant 3N39
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 43 |
| Unit cell lengths | 227.800, 227.800, 147.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.910 - 3.200 |
| R-factor | 0.1797 |
| Rwork | 0.179 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m0j |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (v.2.8.1) |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.130 | 3.280 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 123844 | 9153 |
| <I/σ(I)> | 9.38 | 0.56 |
| Completeness [%] | 99.9 | |
| Redundancy | 32.5 | |
| CC(1/2) | 0.999 | 0.293 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6 M ammonium sulfate, 0.25 M lithium sulfate, and 0.05 M CAPS pH 10.5 |
