4N7E

Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.9000
Spacegroup name	C 1 2 1
Unit cell lengths	161.948, 77.402, 111.176
Unit cell angles	90.00, 127.06, 90.00

Refinement procedure

Resolution	44.400 - 2.700
R-factor	0.2038
Rwork	0.201
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3F6K with ligand glycosylations and waters removed
RMSD bond length	0.011
RMSD bond angle	1.354
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.700	46.700	2.800
High resolution limit [Å]	2.700	8.500	2.700
Rmerge	0.071	0.033	0.845
Number of reflections	30397
<I/σ(I)>	15.2	46	2.2
Completeness [%]	99.7	99.4	97.9
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	292	0.1 M HEPES-Tris, 0.4 M sodium malonate, 27 % (w/v) PEG 3350, 4.5 % (v/v) glycerol, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 292K