7N3K
Oridonin-bound SARS-CoV-2 Nsp9
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 | 2020-08-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.009, 88.250, 85.951 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 60.000 - 3.000 |
| Rwork | 0.226 |
| R-free | 0.28550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kri |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.510 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.200 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rpim | 0.035 | 0.525 |
| Number of reflections | 25089 | 3682 |
| <I/σ(I)> | 10.5 | 1.5 |
| Completeness [%] | 99.1 | 99.6 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 295 | 20% PEG 4000, 0.17M NH4SO4, 0.1M NaCitrate Phosphate pH 4.0 |
