6OV9

Coiled-coil Trimer with Glu:p-nitrophenylalanine:Lys Triad

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-26
Detector	APEX II CCD
Wavelength(s)	1.5406
Spacegroup name	H 3
Unit cell lengths	39.051, 39.051, 101.173
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.898 - 2.100
R-factor	0.2162
Rwork	0.209
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHENIX
Refinement software	PHENIX (dev_2906)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.900	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.220	0.626
Rmeas	0.229	0.684
Rpim	0.062	0.272
Number of reflections	7199	333
<I/σ(I)>	10.7
Completeness [%]	99.8	100
Redundancy	10.9	6.2
CC(1/2)	0.903	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	40% PEG300, 100 mM sodium phosphate dibasic/citric acid, pH 4.2