4OV6

Crystal structure of PCSK9(53-451) with Adnectin

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	CCD
Collection date	2009-08-06
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	75.200, 118.600, 168.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.040 - 2.690
R-factor	0.2006
Rwork	0.199
R-free	0.23080
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.11.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.030	2.780
High resolution limit [Å]	2.690	2.690
Rmerge		0.307
Number of reflections	42093
<I/σ(I)>	9.4	3.2
Completeness [%]	98.1	86.3
Redundancy	4.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	22% v/v PEG200, 1% v/v ethylene glycol, 0.1 M MES pH 6.5, crystals harvested next day, cryo-protectant: 30% v/v PEG200, VAPOR DIFFUSION, HANGING DROP, temperature 296K