7KEV

PCSK9 in complex with a cyclic peptide LDLR disruptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-12
Detector	MAR CCD 130 mm
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	62.225, 70.441, 149.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.640 - 2.800
R-factor	0.2285
Rwork	0.226
R-free	0.28040
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2qtw
RMSD bond length	0.008
RMSD bond angle	1.014
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.656	2.828
High resolution limit [Å]	2.800	2.818
Rmerge	0.143	1.250
Rmeas	0.164	0.990
Rpim	0.076	0.652
Number of reflections	15722	153
<I/σ(I)>	10
Completeness [%]	87.1	94.4
Redundancy	3.8	3.9
CC(1/2)	0.994	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20.0% PEG-6000, 0.1M TRIS