7NFP

A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91
Spacegroup name	C 2 2 21
Unit cell lengths	62.180, 130.720, 61.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.665 - 1.430
R-factor	0.1579
Rwork	0.156
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	model helices
RMSD bond length	0.005
RMSD bond angle	0.731
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.670	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.064	0.509
Rpim	0.047	0.437
Number of reflections	46158	2238
<I/σ(I)>	10.9	2.5
Completeness [%]	99.5	98
Redundancy	4.8	3.5
CC(1/2)	0.997	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	0.1 M HEPES pH 7.5, 0.1 M NaCl, 10% v/v 2-propanol.