7P8I
Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.557, 131.214, 115.725 |
| Unit cell angles | 90.00, 99.77, 90.00 |
Refinement procedure
| Resolution | 61.956 - 4.500 |
| R-factor | 0.2785 |
| Rwork | 0.278 |
| R-free | 0.29440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6vw1 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.750 | 5.020 |
| High resolution limit [Å] | 4.490 | 4.490 |
| Rmerge | 0.278 | 1.178 |
| Number of reflections | 14753 | 4138 |
| <I/σ(I)> | 3.9 | 1.2 |
| Completeness [%] | 99.4 | 98.5 |
| Redundancy | 5.3 | 5.4 |
| CC(1/2) | 0.969 | 0.378 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 100 mM Tris/HCl pH 8.5, 20-25% PEG 6000, 100 mM NaCl |
