6E4Z

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-30
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	70.929, 99.782, 86.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.417 - 2.202
R-factor	0.1965
Rwork	0.195
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e4y
RMSD bond length	0.020
RMSD bond angle	1.039
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1-2155_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.420	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.082	0.827
Rmeas	0.089	0.900
Rpim	0.033	0.352
Number of reflections	31726	3101
<I/σ(I)>	20.7	2.11
Completeness [%]	99.8	99.6
Redundancy	7.3	6.4
CC(1/2)	0.657	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	15% w/v PEG8000, 0.2 M zinc acetate, 0.1 M sodium cacodylate, pH 6.5