5SBF
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9127 |
Spacegroup name | P 63 |
Unit cell lengths | 149.997, 149.997, 111.405 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 129.980 - 1.640 |
R-factor | 0.1887 |
Rwork | 0.188 |
R-free | 0.21110 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6x1b |
RMSD bond length | 0.014 |
RMSD bond angle | 1.767 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 130.310 | 130.310 | 1.670 |
High resolution limit [Å] | 1.640 | 4.450 | 1.640 |
Rmerge | 0.090 | 0.036 | 2.458 |
Number of reflections | 1560712 | ||
<I/σ(I)> | 12.2 | 63.8 | 0.4 |
Completeness [%] | 99.9 | 100 | 98.7 |
CC(1/2) | 1.000 | 1.000 | 0.330 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.1 M Na3 Citrate pH 5,14% w/v PEG6000 |