7U0A
Crystal Structure of C77G12 Fab in complex with SARS-CoV-2 S fusion peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-10-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.988 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.227, 64.056, 78.813 |
Unit cell angles | 90.00, 93.33, 90.00 |
Refinement procedure
Resolution | 45.150 - 1.700 |
R-factor | 0.1557 |
Rwork | 0.154 |
R-free | 0.18690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7r6w |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.670 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.039 | |
Number of reflections | 49412 | 2622 |
<I/σ(I)> | 16.4 | |
Completeness [%] | 99.8 | |
Redundancy | 3.7 | |
CC(1/2) | 0.783 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2 M Calcium Chloride 20 % (w/v) PEG 3350 |