7NXC
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with ACE2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 103.502, 103.502, 225.907 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.620 - 3.140 |
| R-factor | 0.2287 |
| Rwork | 0.226 |
| R-free | 0.27830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lzg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.595 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 3.190 |
| High resolution limit [Å] | 3.140 | 3.140 |
| Rmerge | 0.500 | |
| Rpim | 0.100 | |
| Number of reflections | 22273 | 1047 |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 25.7 | |
| CC(1/2) | 0.992 | 0.310 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 0.1 M Imidazole pH 7.0 and 20% w/v Polyethylene glycol 6,000 |
