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