7TP4
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.638, 277.273, 91.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.212 - 1.950 |
R-factor | 0.2059 |
Rwork | 0.205 |
R-free | 0.23060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w41 |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.190 | 47.190 | 1.790 |
High resolution limit [Å] | 1.740 | 7.780 | 1.740 |
Rmerge | 0.090 | 0.055 | 5.240 |
Rmeas | 0.094 | 0.058 | 5.691 |
Rpim | 0.026 | 0.017 | 2.165 |
Total number of observations | 1085173 | 13105 | 43235 |
Number of reflections | 89537 | 1130 | 6472 |
<I/σ(I)> | 12.1 | 40.9 | 0.3 |
Completeness [%] | 99.8 | 99.6 | 98.2 |
Redundancy | 12.1 | 11.6 | 6.7 |
CC(1/2) | 0.999 | 0.998 | 0.158 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M ammonium formate and 20% (w/v) PEG 3350 |