4PND

A de novo designed pentameric coiled coil CC-Pent_Variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	93
Detector technology	PIXEL
Collection date	2014-02-08
Detector	PSI PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	31.950, 42.560, 97.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.500 - 1.750
R-factor	0.1942
Rwork	0.193
R-free	0.22510
RMSD bond length	0.007
RMSD bond angle	0.919
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	1.780
High resolution limit [Å]	1.750	1.750
Rmerge		0.721
Number of reflections	14016
<I/σ(I)>	15.2	3.2
Completeness [%]	100.0	100
Redundancy	8.6	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.17	0.15 M Ammonium Sulphate, 0.1 M MES, 15% w/v PEG 4000