7MZI
SARS-CoV-2 receptor binding domain bound to Fab WCSL 129
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953732 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 106.562, 71.896, 113.688 |
Unit cell angles | 90.00, 108.32, 90.00 |
Refinement procedure
Resolution | 44.550 - 1.850 |
R-factor | 0.1758 |
Rwork | 0.174 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w41 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3965) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.550 | 44.550 | 1.890 |
High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
Rmerge | 0.079 | 0.026 | 0.822 |
Rmeas | 0.093 | 0.031 | 0.966 |
Rpim | 0.049 | 0.016 | 0.504 |
Total number of observations | 243523 | 2129 | 15191 |
Number of reflections | 69190 | 618 | 4230 |
<I/σ(I)> | 9.6 | 32.7 | 1.6 |
Completeness [%] | 99.3 | 97.9 | 98.6 |
Redundancy | 3.5 | 3.4 | 3.6 |
CC(1/2) | 0.998 | 0.999 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 18% PEG3350, 0.1 M tri sodium citrate pH 5.5 |