6XIB

PCSK9(deltaCRD) in complex with cyclic peptide 30

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	2014-12-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	71.027, 71.027, 152.357
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.510 - 1.546
R-factor	0.1894
Rwork	0.189
R-free	0.20470
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4nmx
RMSD bond length	0.008
RMSD bond angle	0.900
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]	61.511	1.631
High resolution limit [Å]	1.546	1.546
Number of reflections	57785	2883
<I/σ(I)>	8.6
Completeness [%]	92.7
Redundancy	9.3
CC(1/2)	0.998	0.577

Crystallization Conditions

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