7XCE

Crystal structure of Ankyrin G in complex with neurofascin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	97.877, 97.877, 89.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.600 - 2.500
R-factor	0.1952
Rwork	0.193
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y4e
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (v1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.124	0.060	0.913
Rmeas	0.137	0.068	1.006
Rpim	0.059	0.031	0.419
Total number of observations	83059
Number of reflections	15440	862	760
<I/σ(I)>	8.1
Completeness [%]	99.6	96.7	99.9
Redundancy	5.4	4.7	5.6
CC(1/2)		0.994	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289.2	0.1 M ammonium acetate, 0.1 M Bis-Tris (pH 5.5), 17% w/v polyethylene glycol 10000