9FC2
The crystal structure of the SARS-CoV-2 receptor binding domain in complex with the neutralizing nanobody 4.
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 | 2023-07-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 61 |
| Unit cell lengths | 97.664, 97.664, 64.350 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.290 - 1.210 |
| R-factor | 0.1534 |
| Rwork | 0.152 |
| R-free | 0.16960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.216 |
| 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] | 48.832 | 1.231 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Rmerge | 0.044 | 0.814 |
| Rmeas | 0.046 | 0.868 |
| Rpim | 0.015 | 0.300 |
| Number of reflections | 103166 | 5301 |
| <I/σ(I)> | 22.245 | 2.212 |
| Completeness [%] | 97.2 | 100 |
| Redundancy | 9.89 | 8.33 |
| CC(1/2) | 1.000 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 22,5 % PEG 8000, 100mM NaAc pH 4.5, 200mM NaCl |
