6G6B

Crystal structure of a parallel six-helix coiled coil CC-Type2-LL-L17Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-06-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 41 3 2
Unit cell lengths	104.790, 104.790, 104.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.098 - 2.300
R-factor	0.2182
Rwork	0.216
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.309
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.100	74.100	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.082	0.031	1.365
Rmeas	0.083	0.031	1.378
Rpim	0.010	0.004	0.182
Total number of observations	607009
Number of reflections	9275	216	897
<I/σ(I)>	38
Completeness [%]	100.0	100	100
Redundancy	65.4	50.8	56.1
CC(1/2)	1.000	1.000	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	50 mM SPG Buffer (Succinic acid, Sodium phosphate monobasic monohydrate and Glycine) and 12.5% w/v PEG 1500