6NAF

De novo designed homo-trimeric amantadine-binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2017-12-09
Detector	RIGAKU
Wavelength(s)	1.5417
Spacegroup name	P 63
Unit cell lengths	50.610, 50.610, 68.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.065 - 2.500
R-factor	0.2801
Rwork	0.277
R-free	0.31790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n9h
RMSD bond length	0.013
RMSD bond angle	2.001
Data reduction software	LAUEGEN
Data scaling software	LSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.820	7.270	9.020
High resolution limit [Å]	1.920	2.500	1.920
Rmerge	0.090
Number of reflections	7655	3091	7686
<I/σ(I)>	23.2
Completeness [%]	100.0		100
Redundancy	17.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	9% PEG6000, 0.1 M citric acid, pH 4.0
1	VAPOR DIFFUSION, SITTING DROP	4	293	9% PEG6000, 0.1 M citric acid, pH 4.0