4NL9

Crystal structure of the human Anks3-SAM/Anks6-SAM heterodimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	47.700, 108.520, 101.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.870 - 1.500
R-factor	0.1823
Rwork	0.180
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nj8
RMSD bond length	0.005
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.540
High resolution limit [Å]	1.500	6.700	1.500
Rmerge	0.062	0.039	0.371
Number of reflections	42244	508	3042
<I/σ(I)>	14.83	30.48	4.16
Completeness [%]	98.7	91.4	96.9
Redundancy	5.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion, hanging drop, streak seeding	8	298	31.5% PEG-4000, 100mM Tris, 0.25M magnesium chloride, pH 8.0, vapor diffusion, hanging drop, streak seeding, temperature 298K