7SPO
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with VNAR 3B4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-15 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.144, 90.740, 122.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.960 - 1.920 |
| R-factor | 0.1921 |
| Rwork | 0.190 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ym0 4hgk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.911 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20rc3_4406) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.140 | 81.140 | 1.960 |
| High resolution limit [Å] | 1.920 | 9.210 | 1.920 |
| Rmerge | 0.046 | 0.022 | 1.981 |
| Rmeas | 0.049 | 0.024 | 2.140 |
| Rpim | 0.019 | 0.010 | 0.804 |
| Total number of observations | 465377 | 4461 | 30677 |
| Number of reflections | 69770 | 735 | 4443 |
| <I/σ(I)> | 19.6 | 65.4 | 1 |
| Completeness [%] | 99.9 | 99.8 | 99.9 |
| Redundancy | 6.7 | 6.1 | 6.9 |
| CC(1/2) | 0.999 | 0.995 | 0.529 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium acetate trihydrate, 20 % w/v PEG 3350 |
