6M3P

Crystal structure of AnkG/beta2-spectrin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1
Unit cell lengths	66.277, 66.305, 160.926
Unit cell angles	99.47, 99.78, 100.87

Refinement procedure

Resolution	44.995 - 3.312
R-factor	0.2563
Rwork	0.255
R-free	0.29510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d8o 3kbt
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (v1.15.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.112	0.043
Rmeas	0.131	0.056
Rpim	0.088	0.035	0.891
Total number of observations	103394
Number of reflections	37513	1911	1815
<I/σ(I)>	2.6
Completeness [%]	97.7	99.6	97.7
Redundancy	2.8	3	2.5
CC(1/2)		0.802	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	10% w/v polyethylene glycol 6,000, 5% v/v (+/-)-2-methyl-2,4-pentanediol and 0.1 M HEPES pH 7.5