5SLF
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z198195770
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 | 2022-02-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91788 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.606, 67.764, 138.339 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.170 - 2.010 |
R-factor | 0.2038 |
Rwork | 0.202 |
R-free | 0.24510 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7qgi |
RMSD bond length | 0.009 |
RMSD bond angle | 1.589 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 138.370 | 138.370 | 2.060 |
High resolution limit [Å] | 2.010 | 8.980 | 2.010 |
Rmerge | 0.236 | 0.052 | 2.851 |
Rmeas | 0.256 | 0.058 | 3.081 |
Rpim | 0.097 | 0.025 | 1.157 |
Total number of observations | 293772 | 3221 | 21509 |
Number of reflections | 43194 | ||
<I/σ(I)> | 6.6 | 33.8 | 0.6 |
Completeness [%] | 99.9 | 99.9 | 98.3 |
Redundancy | 6.8 | 5.5 | 7 |
CC(1/2) | 0.990 | 0.978 | 0.358 |
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 |