6EFR

Crystal Structure of iNicSnFR 1.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	I 2 2 2
Unit cell lengths	80.610, 95.640, 151.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.640 - 2.400
R-factor	0.1912
Rwork	0.188
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid 3R6U
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.850	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.048
Rmeas	0.161	1.245
Rpim	0.059	0.457
Number of reflections	23162	46891
<I/σ(I)>	47.79
Completeness [%]	99.1	98.8
Redundancy	14	14.1
CC(1/2)	0.924	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	6mM nicotine, 50mM MgCl2, 10mM HEPES, 30% PEG 550