5RLR
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z822382694
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 | 2020-07-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9126 |
Spacegroup name | P 1 |
Unit cell lengths | 59.250, 70.242, 85.595 |
Unit cell angles | 102.48, 96.28, 112.50 |
Refinement procedure
Resolution | 81.660 - 2.320 |
R-factor | 0.2126 |
Rwork | 0.209 |
R-free | 0.28260 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6zsl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.547 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 81.500 | 81.500 | 2.390 |
High resolution limit [Å] | 2.320 | 9.270 | 2.320 |
Rmerge | 0.121 | 0.059 | 1.139 |
Rmeas | 0.146 | 0.070 | 1.419 |
Rpim | 0.080 | 0.037 | 0.826 |
Total number of observations | 169663 | 3019 | 13530 |
Number of reflections | 50873 | ||
<I/σ(I)> | 7.3 | 19.9 | 1.7 |
Completeness [%] | 96.4 | 98.6 | 90.9 |
Redundancy | 3.3 | 3.7 | 3 |
CC(1/2) | 0.973 | 0.995 | 0.229 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 16 % Ethylene Glycol, 8 % PEG 8K, 0.05 M HEPES, 0.05 M MOPS, 0.03 M Sodium Nitrate, 0,03 M Sodium Phosphate, 0.03 M Ammonium Sulphate |