6E4Y

Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9, unmodified

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	70.378, 100.527, 86.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.010 - 2.240
R-factor	0.214
Rwork	0.212
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyg
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.240	2.240
Rmerge	0.071	0.683
Rmeas	0.078	0.749
Rpim	0.032	0.304
Number of reflections	30008	2967
<I/σ(I)>	21	2.78
Completeness [%]	99.0	100
Redundancy	5.9	6
CC(1/2)	0.824	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	15% w/v PEG8000, 0.2 M zinc acetate, 0.1 M sodium cacodylate, pH 6.5