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 |