8RRN
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1616 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 173.100, 59.060, 152.030 |
| Unit cell angles | 90.00, 95.45, 90.00 |
Refinement procedure
| Resolution | 45.620 - 3.110 |
| R-factor | 0.2456 |
| Rwork | 0.243 |
| R-free | 0.29130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.620 | 3.230 |
| High resolution limit [Å] | 3.110 | 3.110 |
| Rmerge | 0.409 | 2.741 |
| Rmeas | 0.409 | 2.983 |
| Rpim | 0.175 | 1.160 |
| Number of reflections | 27745 | 2663 |
| <I/σ(I)> | 7.17 | 1.02 |
| Completeness [%] | 99.5 | 97.58 |
| Redundancy | 6.6 | 6.5 |
| CC(1/2) | 0.967 | 0.333 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 30% PEG 3000, 200 mM NaCl, 100 mM Tris pH 7.0 |
