7U0E
Crystal Structure of C13C9 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 |
Unit cell lengths | 63.898, 65.682, 71.001 |
Unit cell angles | 96.50, 108.06, 110.52 |
Refinement procedure
Resolution | 44.090 - 2.100 |
R-factor | 0.1804 |
Rwork | 0.179 |
R-free | 0.20320 |
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] | 44.090 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.061 | |
Number of reflections | 56695 | 4636 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 97.5 | |
Redundancy | 2 | |
CC(1/2) | 0.661 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.04 M KH2PO4, 16 % (w/v) PEG 8000, 20 % (v/v) Glycerol (C13C9 complex) |