7JYY
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-07-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 166.948, 166.948, 98.810 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.970 - 2.050 |
R-factor | 0.1667 |
Rwork | 0.166 |
R-free | 0.18460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w4h |
RMSD bond length | 0.004 |
RMSD bond angle | 1.290 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.083 | 1.079 |
Rmeas | 0.089 | 1.156 |
Rpim | 0.032 | 0.415 |
Number of reflections | 99216 | 4938 |
<I/σ(I)> | 24.1 | 2.1 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 7.6 | 7.6 |
CC(1/2) | 0.996 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 292 | Protein: 5.3 mg/ml (nsp10/nsp16 1:1), 0.15M Sodium chloride, 0.01M Tris pH 7.5 , 2mM SAM, 1mM TCEP, 5% Glycerol; Screen: ComPAS (G5), 0.1M Sodium citrate pH 5.6, 1.0M Ammonium dihydrogen phosphate; Soak: 1.5 hours, 0.2mM [M7Gppp]rArUrUrArArA, 5mM SAM, 5mM Manganese chloride; Cryo: 4M Sodium formate. |