7CJF
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-06-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9790 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 85.958, 148.575, 144.655 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.164 - 2.108 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.22850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bwj |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3228) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.091 | 0.033 | 0.800 |
Rmeas | 0.097 | 0.035 | 0.844 |
Rpim | 0.031 | 0.011 | 0.264 |
Total number of observations | 475973 | ||
Number of reflections | 49623 | 2844 | 2639 |
<I/σ(I)> | 7.9 | ||
Completeness [%] | 92.7 | 99.8 | 99.8 |
Redundancy | 9.6 | 9.2 | 9.7 |
CC(1/2) | 0.999 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 20%(w/v)PEG 3350 0.2M potassium citrate tribasic |