5SL8
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91788 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.708, 68.447, 138.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.820 - 2.070 |
R-factor | 0.2287 |
Rwork | 0.227 |
R-free | 0.26110 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7qgi |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | BUSTER (2.10.4 (20-OCT-2021)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.200 | 69.200 | 2.130 |
High resolution limit [Å] | 2.070 | 8.790 | 2.070 |
Rmerge | 0.346 | 0.080 | 3.076 |
Rmeas | 0.375 | 0.091 | 3.315 |
Rpim | 0.142 | 0.041 | 1.227 |
Total number of observations | 270765 | 3464 | 22791 |
Number of reflections | 39775 | ||
<I/σ(I)> | 6.4 | 35.1 | 0.8 |
Completeness [%] | 99.7 | 99.9 | 99.3 |
Redundancy | 6.8 | 5.6 | 7.1 |
CC(1/2) | 0.964 | 0.816 | 0.488 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 278 | 1.26 M sodium phosphate monobasic, 0.14 M potassium phosphate dibasic |