6V4Y

Coiled-coil Trimer with Glu:Tyr:Lys Triad with a K7A mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-11
Detector	APEX II CCD
Wavelength(s)	1.5406
Spacegroup name	H 3
Unit cell lengths	39.814, 39.814, 98.199
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.907 - 1.850
R-factor	0.221
Rwork	0.218
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ovs
RMSD bond length	0.006
RMSD bond angle	0.732
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.907	1.948
High resolution limit [Å]	1.850	1.850
Rmerge	0.199	0.450
Rmeas	0.206	0.523
Rpim	0.052	0.261
Number of reflections	9078	990
<I/σ(I)>	17.5	1.1
Completeness [%]	99.8
Redundancy	9.4
CC(1/2)	0.913	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	35% 2-ethoxyethanol, 100 mM imidazole/HCl, pH 8, 50 mM calcium acetate