9F2H
Crystal structure of SARS-CoV-2 N-protein C-terminal domain in complex with riluzole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-10 |
Detector | DECTRIS EIGER2 X CdTe 16M |
Wavelength(s) | 0.774899 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 93.056, 43.383, 109.326 |
Unit cell angles | 90.00, 91.44, 90.00 |
Refinement procedure
Resolution | 46.560 - 1.300 |
R-factor | 0.16856 |
Rwork | 0.168 |
R-free | 0.18898 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.360 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.560 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rpim | 0.026 | 0.363 |
Number of reflections | 103602 | 4726 |
<I/σ(I)> | 12.3 | 1.9 |
Completeness [%] | 97.0 | 89.9 |
Redundancy | 5.5 | 4.7 |
CC(1/2) | 0.999 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | PEG 3350 38%, 0.1 M Tris pH 8.5, 50 mM ammonium sulfate and 1 mM InsP6. Protein:precipitant ratio 1:1. Protein concentration: 16.5 mg/ml. Protein buffer: 20 mM Tris pH 8.0 and 150 mM NaCl. Soaking o/n with saturated concentration of riluzole in PEG 3350 40%, 0.1 M Tris pH 8.5, 50 mM ammonium sulfate, 1 mM InsP6 condition. |