7KFA

PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor

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	2013-11-14
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	62.422, 70.338, 150.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.670 - 2.450
R-factor	0.1919
Rwork	0.189
R-free	0.24170
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2qtw
RMSD bond length	0.005
RMSD bond angle	0.824
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	FFT
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.670	2.580
High resolution limit [Å]	2.450	2.450
Rmerge	0.082	0.555
Rmeas	0.096	0.665
Rpim	0.096	0.335
Number of reflections	23342	3405
<I/σ(I)>	10.6	2.3
Completeness [%]	94.2	78.4
Redundancy	3.2	3.2
CC(1/2)	0.997	0.784

Crystallization Conditions

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