7C33
Macro domain of SARS-CoV-2 in complex with ADP-ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-04-18 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99984 |
Spacegroup name | P 41 |
Unit cell lengths | 85.993, 85.993, 143.567 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.740 - 3.830 |
R-factor | 0.2382 |
Rwork | 0.235 |
R-free | 0.26820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2acf |
RMSD bond length | 0.018 |
RMSD bond angle | 1.335 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.740 | 3.970 |
High resolution limit [Å] | 3.830 | 3.830 |
Rmerge | 0.163 | 0.583 |
Rmeas | 0.186 | 0.717 |
Rpim | 0.087 | 0.410 |
Number of reflections | 9363 | 634 |
<I/σ(I)> | 7.68 | |
Completeness [%] | 97.7 | 91.7 |
Redundancy | 3.5 | |
CC(1/2) | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 37.5% precipitant mix (stock: 2.5% MPD, 25% PEG1000, 25% PEG3350), 0.1M pH 8.5 buffer mix (1M Tris, 1M Bicine) and 0.1M carboxylic acids mix (0.2M sodium formate, 0.2M ammonium acetate, 0.2M sodium citrate, 0.2M sodium potassium, 0.2M sodium oxamate) |