7S5G
PCSK9 in complex with compound 19
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 71.027, 71.027, 153.606 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.510 - 2.041 |
R-factor | 0.2286 |
Rwork | 0.227 |
R-free | 0.28560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w2m |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Refinement software | BUSTER (2.11.8 (11-DEC-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.510 | 2.181 |
High resolution limit [Å] | 2.041 | 2.041 |
Number of reflections | 21355 | 1069 |
<I/σ(I)> | 7.2 | |
Completeness [%] | 84.7 | |
Redundancy | 9.6 | |
CC(1/2) | 0.993 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 20% PEG3350, 200mM CaCl2, 100mM MES pH 6 |