5NNI

Dimer structure of Sortilin ectodomain crystal form 2, 3.2 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	79.842, 137.170, 147.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.195 - 3.210
R-factor	0.2288
Rwork	0.227
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nmt
RMSD bond length	0.002
RMSD bond angle	0.686
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.200	3.325
High resolution limit [Å]	3.210	3.210
Rmerge	0.077	0.158
Rpim	0.033	0.158
Number of reflections	27112	2654
<I/σ(I)>	14.1	4.37
Completeness [%]	99.7	99.59
Redundancy	6.3	2
CC(1/2)	0.997	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	0.2 M NH4Cl, 1 mM CaCl2 and 20% PEG 3350 (w/v), pH 5.0