7X63
SARS-CoV-2-Beta-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 1 2 1 |
| Unit cell lengths | 196.680, 84.720, 57.780 |
| Unit cell angles | 90.00, 99.65, 90.00 |
Refinement procedure
| Resolution | 30.380 - 2.240 |
| R-factor | 0.1941 |
| Rwork | 0.193 |
| R-free | 0.22430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7chb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.876 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.240 | 6.080 | 2.240 |
| Rmerge | 0.120 | 0.090 | 0.722 |
| Rmeas | 0.131 | 0.098 | 0.785 |
| Rpim | 0.050 | 0.038 | 0.305 |
| Total number of observations | 295597 | ||
| Number of reflections | 44909 | 2319 | 2217 |
| <I/σ(I)> | 4.2 | ||
| Completeness [%] | 99.5 | 99.1 | 99.1 |
| Redundancy | 6.6 | 6.6 | 6.2 |
| CC(1/2) | 0.981 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 4% v/v Tacsimate pH 8.0, 12% w/v Polyethylene Glycol 3350 |
