6G6H

Crystal structure of an antiparallel five-helix coiled coil 5H2L_2.1-I9L

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	2016-07-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	34.290, 65.320, 83.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.417 - 1.700
R-factor	0.1857
Rwork	0.183
R-free	0.23010
Structure solution method	AB INITIO PHASING
RMSD bond length	0.006
RMSD bond angle	0.747
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	Arcimboldo (4.0.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.320	65.320	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.107	0.041	1.363
Rmeas	0.113	0.043	1.444
Rpim	0.036	0.013	0.471
Total number of observations	219288
Number of reflections	21295	188	1091
<I/σ(I)>	14.4
Completeness [%]	99.7	99.8	98.7
Redundancy	10.3	9.4	9.9
CC(1/2)	0.998	0.998	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 mM Potassium phosphate monobasic , 8% w/v PEG 8000 and 10% w/v Glycerol