7X66
SARS-CoV-2-Omicron-RBD and BD-236-GWP/P-VK antibody complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-01-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 86.240, 146.470, 145.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.860 - 2.400 |
| R-factor | 0.1925 |
| Rwork | 0.190 |
| R-free | 0.23820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7chb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.936 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.430 |
| High resolution limit [Å] | 2.390 | 6.480 | 2.390 |
| Rmerge | 0.183 | 0.110 | 0.800 |
| Rmeas | 0.192 | 0.115 | 0.845 |
| Rpim | 0.057 | 0.035 | 0.269 |
| Total number of observations | 391440 | ||
| Number of reflections | 36294 | 1962 | 1772 |
| <I/σ(I)> | 2.9 | ||
| Completeness [%] | 99.1 | 99.8 | 98 |
| Redundancy | 10.8 | 10.8 | 9.3 |
| CC(1/2) | 0.963 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 4% v/v Tacsimate pH 6.0, 12% w/v Polyethylene Glycol 3350 |
