5NNJ

Dimer structure of Sortilin ectodomain crystal form 3, 4.0 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97599
Spacegroup name	P 21 21 21
Unit cell lengths	150.320, 151.820, 162.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.719 - 4.000
R-factor	0.1892
Rwork	0.186
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nmt
RMSD bond length	0.014
RMSD bond angle	1.281
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.720	4.143
High resolution limit [Å]	4.000	4.000
Rmerge	0.039	0.408
Rmeas	0.056	0.577
Rpim	0.039	0.408
Number of reflections	32164	3145
<I/σ(I)>	7.7	1.83
Completeness [%]	100.0	99.71
Redundancy	12	2
CC(1/2)	0.998	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	291	0.18 M Magnesium formate dihydrate pH 7.0, 18% PEG 3350 (w/v), 1 mM CaCl2 and 1 mM GSH (L-Glutathione reduced) & GSSG (L-Glutathione oxidized), final pH 6.2