7R8L
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody C099 and CR3022
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | .97984 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 109.947, 109.947, 228.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.620 - 2.600 |
| R-factor | 0.1821 |
| Rwork | 0.180 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bz5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.034 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.620 | 39.620 | 2.700 |
| High resolution limit [Å] | 2.600 | 9.730 | 2.600 |
| Rmerge | 0.257 | 0.099 | 4.146 |
| Rmeas | 0.268 | 0.104 | 4.327 |
| Rpim | 0.074 | 0.031 | 1.219 |
| Total number of observations | 569763 | 10661 | 56961 |
| Number of reflections | 44010 | 974 | 4536 |
| <I/σ(I)> | 8.9 | 20.3 | 1.1 |
| Completeness [%] | 100.0 | 98.7 | 100 |
| Redundancy | 12.9 | 10.9 | 12.6 |
| CC(1/2) | 0.995 | 0.996 | 0.351 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1M Sodium cacodylate, 40% 2-Methyl-2,4-pentanediol (MPD), and 5% PEG8000 |
