5W0J

Antiparallel coiled coil hexamer formed by de novo peptides (ACC-Hex2).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	52.560, 52.560, 93.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.887 - 2.201
R-factor	0.2253
Rwork	0.220
R-free	0.27690
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.761
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.890	2.290
High resolution limit [Å]	2.201	2.201
Rmerge	0.070	0.270
Rpim	0.040	0.110
Number of reflections	5328	300
<I/σ(I)>	13.9	5.5
Completeness [%]	99.5	100
Redundancy	2	6.9
CC(1/2)	0.999	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M sodium formate pH 6.5, 35% PEG 3350