6X1I

Two-Component D3 Assembly Constructed by Fusing Symmetric Oligomers to Coiled Coils

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	2015-11-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9790
Spacegroup name	P 43 3 2
Unit cell lengths	146.340, 146.340, 146.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.490 - 4.320
R-factor	0.2796
Rwork	0.278
R-free	0.29260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wy1 3dxo
RMSD bond length	0.004
RMSD bond angle	0.920
Data reduction software	XDS (VERSION Oct 15, 2015)
Data scaling software	XSCALE (VERSION Oct 15, 2015)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (dev 3724)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.500	84.500	4.440
High resolution limit [Å]	4.320	19.330	4.320
Rmerge	0.095	0.045	2.374
Rmeas	0.099	0.048	2.449
Number of reflections	3945	69	281
<I/σ(I)>	14.4	46.8	1.3
Completeness [%]	99.7	97.2	96.9
Redundancy	17.657	11.739	16.765
CC(1/2)	1.000	1.000	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	Reagent Well: - 10ul of Silver Bullets additive screen reagent B9: 0.25% w/v Hexamminecobalt(III) chloride, 0.25% w/v Salicylamide, 0.25% w/v Sulfanilamide, 0.25% w/v Vanillic acid, 0.02 M HEPES sodium pH 6.8 - 90ul of crystallization reagent: 0.10 M Sodium Acetate pH 5.4, 66% MPD Drop: - 2:1 protein sample to well reagent ratio - Protein sample: 2.8mg/ml of purified protein in 0.5M NaCl, 5% Glycerol, 2.8mM beta-mercaptoethanol, 50 mM Tris pH 7.5, 5mM MgCl2 sample buffer