7A8K

rsGreen0.7-K206A-H148V partially in the green-off 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	I 1 2 1
Unit cell lengths	48.006, 68.931, 76.382
Unit cell angles	90.00, 94.84, 90.00

Refinement procedure

Resolution	39.299 - 2.250
R-factor	0.1926
Rwork	0.189
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xow
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
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]	42.130	42.130	2.320
High resolution limit [Å]	2.250	9.000	2.250
Rmerge	0.076	0.042	0.697
Rmeas	0.088	0.048	0.827
Rpim	0.045	0.024	0.439
Total number of observations	43972	757	3804
Number of reflections	11804	201	1104
<I/σ(I)>	10	26.9	1.9
Completeness [%]	99.4	98.6	99.5
Redundancy	3.7	3.8	3.4
CC(1/2)	0.997	0.997	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	50 mM HEPES pH 7.5 12 % PEG 4000 1% tryptone