8WFH
Crystal structure of Omicron BA.4/5 in complex with a neutralizing antibody scFv D1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-06-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.570, 95.500, 53.070 |
| Unit cell angles | 90.00, 109.41, 90.00 |
Refinement procedure
| Resolution | 37.540 - 2.720 |
| R-factor | 0.2149 |
| Rwork | 0.211 |
| R-free | 0.25020 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.328 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.330 | 2.790 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Number of reflections | 12082 | 924 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.29 | |
| CC(1/2) | 0.997 | 0.643 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 25% w/v PEG 1500, SPG Buffer/NaOH pH 8.5 |
