6GKC

2 minute Fe2+ soak structure of SynFtn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	F 4 3 2
Unit cell lengths	177.157, 177.157, 177.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.410 - 1.970
R-factor	0.1787
Rwork	0.177
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eum
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.410	53.410	2.020
High resolution limit [Å]	1.970	9.030	1.970
Rmerge	0.071	0.023	1.073
Rmeas	0.084	0.028	1.283
Rpim	0.044	0.015	0.685
Number of reflections	16769	197	1161
<I/σ(I)>	12.3
Completeness [%]	97.3	90.9	97.7
Redundancy	3.3	2.8	3.2
CC(1/2)	0.998	0.999	0.509

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