7R6W
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 106.267, 239.372, 129.806 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.910 - 1.830 |
| R-factor | 0.2123 |
| Rwork | 0.211 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7JX3 and homology model of S2X35 Fab |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.259 |
| Data reduction software | XDS (VERSION Jan 31, 2020 BUILT=20200417) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.520 | 39.520 | 1.860 |
| High resolution limit [Å] | 1.830 | 10.020 | 1.830 |
| Rmerge | 0.085 | 0.014 | 2.960 |
| Rmeas | 0.092 | 0.015 | 3.199 |
| Rpim | 0.035 | 0.006 | 1.202 |
| Total number of observations | 974144 | 6334 | 49462 |
| Number of reflections | 144449 | 970 | 7110 |
| <I/σ(I)> | 16.2 | 82.5 | 0.7 |
| Completeness [%] | 99.6 | 98.2 | 99.5 |
| Redundancy | 6.7 | 6.5 | 7 |
| CC(1/2) | 0.999 | 1.000 | 0.306 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 1.85 M ammonium sulfate, 0.1 M Tris, pH 8.17, 0.8% w/v polyvinyl alcohol, 1% v/v 1-propanol, 0.01 M HEPES, pH 7 |
