7MZN
SARS-CoV-2 receptor binding domain bound to Fab PDI 231
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 | 2021-01-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953732 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.482, 103.711, 163.199 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.921 - 3.100 |
| R-factor | 0.225 |
| Rwork | 0.223 |
| R-free | 0.25850 |
| 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 (1.15_3459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.921 | 48.920 | 3.310 |
| High resolution limit [Å] | 3.100 | 8.770 | 3.100 |
| Rmerge | 0.279 | 0.054 | 1.240 |
| Rmeas | 0.303 | 0.060 | 1.347 |
| Rpim | 0.116 | 0.024 | 0.521 |
| Total number of observations | 5205 | 20669 | |
| Number of reflections | 17774 | 891 | 3143 |
| <I/σ(I)> | 6.5 | 22.3 | 1.5 |
| Completeness [%] | 99.9 | 99.5 | 99.9 |
| Redundancy | 6.6 | 5.8 | 6.6 |
| CC(1/2) | 0.989 | 0.998 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 18% PEG3350, 10% N,N-Dimethyldodecylamine N-oxide (LDAO), 0.2 M sodium sulphate |
