8RBY
The crystal structure of the SARS-CoV-2 receptor binding domain in complex with the neutralizing nanobody 1.26
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.481, 55.915, 58.774 |
| Unit cell angles | 90.00, 104.31, 90.00 |
Refinement procedure
| Resolution | 43.100 - 1.900 |
| R-factor | 0.1888 |
| Rwork | 0.187 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.082 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.100 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.106 | 0.633 |
| Rmeas | 0.130 | 0.785 |
| Rpim | 0.074 | 0.459 |
| Number of reflections | 21861 | 1437 |
| <I/σ(I)> | 7 | 1.7 |
| Completeness [%] | 98.7 | 99.1 |
| Redundancy | 2.8 | 2.7 |
| CC(1/2) | 0.992 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 40% PEG-5000 MME, 100mM MOPS pH 7, 10 mM CaCl2 |
