7MMO
LY-CoV1404 neutralizing antibody against SARS-CoV-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97930 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.094, 107.692, 190.472 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.750 - 2.427 |
R-factor | 0.2274 |
Rwork | 0.226 |
R-free | 0.25260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7kmi |
RMSD bond length | 0.007 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7 (18-SEP-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.000 | 2.570 |
High resolution limit [Å] | 2.427 | 2.430 |
Rmerge | 0.069 | 0.690 |
Number of reflections | 57593 | 9489 |
<I/σ(I)> | 15 | 2.5 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.4 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 200mM Trimethylamine N-oxide, 20% PEG MME 2K, 100mM Tris HCl pH 6.0-7.0 |