6GKA

20 minute Fe2+ soak structure of SynFtn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97953
Spacegroup name	F 4 3 2
Unit cell lengths	177.260, 177.260, 177.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.666 - 1.760
R-factor	0.158
Rwork	0.157
R-free	0.18650
Data reduction software	xia2
Data scaling software	Aimless (0.6.2)
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.450	53.450	1.800
High resolution limit [Å]	1.760	8.980	1.760
Rmerge	0.052	0.027	0.731
Rmeas	0.059	0.031	0.854
Rpim	0.028	0.015	0.428
Number of reflections	23392	209	1299
<I/σ(I)>	15.6
Completeness [%]	97.1	91.8	95.5
Redundancy	4.1	3.3	3.5
CC(1/2)	0.999	0.999	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	289	0.1 M sodium acetate 2.0 M sodium chloride