7SKQ
BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor GRL-0617
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-08 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 67.385, 67.167, 165.309 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.570 - 3.160 |
R-factor | 0.2317 |
Rwork | 0.230 |
R-free | 0.25910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e9s |
RMSD bond length | 0.002 |
RMSD bond angle | 0.468 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.200 |
High resolution limit [Å] | 3.150 | 3.150 |
Number of reflections | 658061 | 2484 |
<I/σ(I)> | 11.6 | 1.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.4 | |
CC(1/2) | 0.756 | 0.602 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2M Ammonium Acetate, 20% PEG 1000 |