6R2I

Crystal structure of the SUN1-KASH5 6:6 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 63 2 2
Unit cell lengths	80.163, 80.163, 177.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.989 - 1.541
R-factor	0.1505
Rwork	0.149
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r15
RMSD bond length	0.011
RMSD bond angle	1.076
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.810	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.068	1.515
Rmeas	0.070	1.551
Rpim	0.015	0.329
Number of reflections	49458	7234
<I/σ(I)>	23.5	2.2
Completeness [%]	97.5	100
Redundancy	21.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.12M 1,6-Hexanediol; 0.12M 1-Butanol 1,2-Propanediol (racemic); 0.12M 2-Propanol; 0.12M 1,4-Butanediol; 0.12M 1,3-Propanediol; 0.1M Imidazole pH 6.5 ; 0.1M MES (acid) pH 6.5; 18% Glycerol; 18% PEG 4K