7S5H

PCSK9(deltaCRD) in complex with cyclic peptide 35

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	2016-05-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	44.250, 72.487, 105.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.670 - 1.272
R-factor	0.2057
Rwork	0.206
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w2m
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	BUSTER (2.11.8 (11-DEC-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.673	1.332
High resolution limit [Å]	1.272	1.272
Number of reflections	81048	4052
<I/σ(I)>	11.9
Completeness [%]	95.3
Redundancy	6.5
CC(1/2)	0.999	0.606

Crystallization Conditions

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