4PO7

Structure of the Sortilin:neurotensin complex at excess neurotensin concentration

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.90736
Spacegroup name	C 1 2 1
Unit cell lengths	162.010, 78.650, 110.980
Unit cell angles	90.00, 126.62, 90.00

Refinement procedure

Resolution	20.968 - 2.660
R-factor	0.1684
Rwork	0.166
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.756
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.970	2.730
High resolution limit [Å]	2.660	2.660
Rmerge	0.054	0.744
Number of reflections	32040
<I/σ(I)>	16.79	2.1
Completeness [%]	98.6	99
Redundancy	3.7	3.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	292	20% PEG 6k, 300 mM sodium malonate, 3% glycerol and 100 mM TrisHCl, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 292K