4NMX

PCSK9(deltaCRD) in complex with phage-derived inhibitory peptide 2-8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	103
Detector technology	CCD
Collection date	2011-05-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	95.102, 70.765, 70.413
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	37.420 - 1.850
R-factor	0.18633
Rwork	0.185
R-free	0.22237
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qtw
RMSD bond length	0.008
RMSD bond angle	1.102
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.850	1.850
Number of reflections	39638
<I/σ(I)>	11
Completeness [%]	99.9
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	0.1 M lithium chloride, 10% w/v PEG6000, 0.05 M Tris, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 292K