7LQ7
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 172.218, 122.742, 175.459 |
| Unit cell angles | 90.00, 118.22, 90.00 |
Refinement procedure
| Resolution | 41.290 - 3.400 |
| R-factor | 0.1983 |
| Rwork | 0.197 |
| R-free | 0.23340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7jmw |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.480 |
| High resolution limit [Å] | 3.400 | 8.370 | 3.400 |
| Rmerge | 0.102 | 0.035 | 1.582 |
| Rmeas | 0.111 | 0.038 | 1.712 |
| Rpim | 0.043 | 0.015 | 0.649 |
| Total number of observations | 589794 | ||
| Number of reflections | 87462 | 5911 | 5835 |
| <I/σ(I)> | 5.7 | ||
| Completeness [%] | 98.8 | 97.3 | 99.8 |
| Redundancy | 6.7 | 6.5 | 6.8 |
| CC(1/2) | 0.999 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium citrate pH 4.2, 1 M lithium chloride, and 9% (w/v) polyethylene glycol 6000 |
