6ZLR
Soaking competent crystal form of the SARS-CoV-2 Receptor Binding Domain (RBD):CR3022 complex.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 207.130, 207.130, 199.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.028 - 3.100 |
| Rwork | 0.218 |
| R-free | 0.24720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6w41 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.548 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.028 | 3.160 |
| High resolution limit [Å] | 3.090 | 3.090 |
| Number of reflections | 72060 | 4356 |
| <I/σ(I)> | 4.6 | 1.5 |
| Completeness [%] | 91.1 | 90.6 |
| Redundancy | 4.7 | 4.6 |
| CC(1/2) | 0.933 | 0.415 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 293 | 0.1 M SODIUM MALONATE, 0.1 M TRIS PH 7.7, 22% W/V POLYETHYLENE GLYCOL 1,000 |
