7A8O

rsGreen0.7-K206A-N205S in the green-on state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	102.640, 102.640, 50.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.344 - 1.600
R-factor	0.1626
Rwork	0.161
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xow
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.900	45.900	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.091	0.049	0.684
Rmeas	0.098	0.053	0.730
Rpim	0.034	0.020	0.250
Total number of observations	281204	1870	14240
Number of reflections	36042	276	1764
<I/σ(I)>	12.8	29.1	2.6
Completeness [%]	100.0	99.2	100
Redundancy	7.8	6.8	8.1
CC(1/2)	0.998	0.995	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 mM Maic acid pH 7.0 20 % PEG 3350