7ZR2
Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.777, 37.374, 43.911 |
| Unit cell angles | 90.00, 95.67, 90.00 |
Refinement procedure
| Resolution | 18.800 - 1.450 |
| R-factor | 0.1757 |
| Rwork | 0.174 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lxt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.717 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 18.920 | 18.920 | 1.480 |
| High resolution limit [Å] | 1.450 | 7.670 | 1.450 |
| Rmerge | 0.059 | 0.029 | 0.786 |
| Rmeas | 0.071 | 0.035 | 0.980 |
| Rpim | 0.039 | 0.018 | 0.575 |
| Total number of observations | 138163 | 950 | 4603 |
| Number of reflections | 46236 | 305 | 1930 |
| <I/σ(I)> | 9.4 | 26.3 | 1.2 |
| Completeness [%] | 96.3 | 86.5 | 75.4 |
| Redundancy | 3 | 3.1 | 2.4 |
| CC(1/2) | 0.998 | 0.999 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M sodium HEPES, 20% (w/v) PEG4000, 10% (v/v) isopropanol |
