7XAZ
Crystal structure of Omicron BA.1.1 RBD complexed with hACE2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-07 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 |
| Unit cell lengths | 129.520, 129.520, 189.199 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.590 - 3.000 |
| R-factor | 0.1993 |
| Rwork | 0.198 |
| R-free | 0.23020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lzg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.584 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 62359 | 6181 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.995 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2 M Potassium thiocyanate 20 % w/v PEG 3350 |
