8BE1
SARS-CoV-2 RBD in complex with a Fab fragment of a neutralising antibody mRBD2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.470, 194.620, 62.090 |
| Unit cell angles | 90.00, 97.16, 90.00 |
Refinement procedure
| Resolution | 39.020 - 1.980 |
| R-factor | 0.2492 |
| Rwork | 0.247 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bgf 6ym0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.990 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.050 | 52.050 | 2.030 |
| High resolution limit [Å] | 1.980 | 8.850 | 1.980 |
| Rmerge | 0.109 | 0.041 | 9.628 |
| Rmeas | 0.112 | 0.042 | 9.922 |
| Rpim | 0.027 | 0.011 | 2.378 |
| Total number of observations | 1669839 | 18026 | 122256 |
| Number of reflections | 95377 | 1087 | 7103 |
| <I/σ(I)> | 13.2 | 62.2 | 0.3 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 17.5 | 16.6 | 17.2 |
| CC(1/2) | 0.999 | 0.999 | 0.329 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 281 | 0.1 M Bis Tris Propane pH 6.5 0.2 M Potassium thiocyanate 20 % w/v PEG 3350 10 % v/v Ethylene glycol |
