9BOO
Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 93.15 |
Detector technology | PIXEL |
Collection date | 2024-04-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 105.153, 57.400, 49.004 |
Unit cell angles | 90.00, 113.00, 90.00 |
Refinement procedure
Resolution | 30.420 - 1.500 |
R-factor | 0.1764 |
Rwork | 0.175 |
R-free | 0.19470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.854 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.425 | 30.420 | 1.590 |
High resolution limit [Å] | 1.500 | 4.470 | 1.500 |
Rmerge | 0.025 | 0.020 | 0.603 |
Rmeas | 0.036 | 0.028 | 0.852 |
Number of reflections | 50570 | 1611 | 8591 |
<I/σ(I)> | 7.83 | ||
Completeness [%] | 59.6 | ||
Redundancy | 13.7 | ||
CC(1/2) | 0.998 | 0.997 | 0.548 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES 7.0, 20 % w/v PEG 6000 |