8F5I
SARS-CoV-2 S2 helix epitope scaffold bound by antibody DH1057.1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2022-11-03 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.680, 76.360, 79.020 |
| Unit cell angles | 71.60, 69.99, 88.30 |
Refinement procedure
| Resolution | 45.680 - 1.900 |
| R-factor | 0.2129 |
| Rwork | 0.211 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lmo |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.862 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev-3758) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.680 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 88193 | 8122 |
| <I/σ(I)> | 29.11 | 3.21 |
| Completeness [%] | 93.9 | 87.6 |
| Redundancy | 4.7 | 3.7 |
| CC(1/2) | 0.474 | 0.207 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 3350 |
