6M3R

Crystal structure of AnkG/beta4-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	2016-06-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	139.591, 139.591, 211.317
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.896 - 4.313
R-factor	0.2583
Rwork	0.256
R-free	0.29520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d8o 3kbt
RMSD bond length	0.008
RMSD bond angle	1.310
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.370
High resolution limit [Å]	4.300	11.630	4.300
Rmerge	0.159	0.053
Rmeas	0.142	0.054
Rpim	0.059	0.013	0.602
Total number of observations	259971
Number of reflections	16538	914	805
<I/σ(I)>	2.2
Completeness [%]	99.9	99.5	100
Redundancy	15.7	14.8	16.1
CC(1/2)		0.999	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	289	0.8 M potassium sodium tartrate tetrahydrate, 0.1 M Tris, pH 8.5 and 0.5% w/v polyethylene glycol monomethyl ether 5,000