7SKR
BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor 37
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-12-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 176.306, 176.306, 79.834 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.620 - 2.890 |
R-factor | 0.2028 |
Rwork | 0.201 |
R-free | 0.23990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e9s |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.890 | 2.900 |
Rpim | 0.273 | |
Number of reflections | 16643 | 811 |
<I/σ(I)> | 15.5 | |
Completeness [%] | 99.5 | |
Redundancy | 13.7 | |
CC(1/2) | 0.982 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 279 | 0.1 M Tris-HCl pH 8.5, 0.6M sodium fluoride |