6XID

PCSK9(deltaCRD) in complex with cyclic peptide 51

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	2015-07-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	70.827, 70.827, 152.952
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.340 - 1.482
R-factor	0.1877
Rwork	0.187
R-free	0.20490
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4nmx
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	BUSTER (2.11.7 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.340	1.547
High resolution limit [Å]	1.482	1.482
Number of reflections	74593	3427
<I/σ(I)>	13.2
Completeness [%]	92.3
Redundancy	9.8
CC(1/2)	0.999	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	20% PEG3350, 200mM CaCl2, 100mM MES pH 6