7ANQ

Complete PCSK9 C-ter domain in complex with VHH P1.40

Replaces:  6F5G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978570
Spacegroup name	P 41 21 2
Unit cell lengths	52.430, 52.430, 263.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.320 - 2.200
R-factor	0.215
Rwork	0.213
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h42 4eiz
RMSD bond length	0.008
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.700	2.330
High resolution limit [Å]	2.196	2.196
Number of reflections	19768	63927
<I/σ(I)>	7.79
Completeness [%]	99.7
Redundancy	11.5
CC(1/2)	0.995	0.275

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein: Purified PCSK9/P1.40 complex at 5.3 mg/ml Precipitant: 10% PEG 4.000, 0.2M imidazole malate, pH 7.0 Cryoprotectant: 40% SM3 (25 % diethylene glycol + 25 % ethylene glycol + 25 % glycerol + 25 % 1,4-dioxane) 25% PEG 4.000, 0.2M imidazole malate, pH 7.0