6U3X

PCSK9 in complex with compound 2

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	2010-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	62.312, 70.417, 148.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.440 - 2.640
R-factor	0.25
Rwork	0.248
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.640	2.640
Rmerge	0.111	0.595
Number of reflections	18751	956
<I/σ(I)>	11.4
Completeness [%]	94.4
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		303	10-22% PEG 10K, 0.1M Tris, pH 8.5, 10% ethylene glycol, 1% BAM