6MV5

Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9 (E32K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	70.449, 100.420, 86.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 2.100
R-factor	0.2107
Rwork	0.210
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e4y
RMSD bond length	0.004
RMSD bond angle	0.958
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.073	0.759
Rmeas	0.089	0.929
Rpim	0.050
Number of reflections	36442	3626
<I/σ(I)>	10.7	2
Completeness [%]	99.4	98.9
Redundancy	5.5	5.6
CC(1/2)	0.995	0.627

Crystallization Conditions

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