7A8B

rsGreen0.7-K206A-F145S partially in the green-on state

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	2017-02-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	139.548, 139.548, 72.864
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.513 - 1.550
R-factor	0.1951
Rwork	0.193
R-free	0.23210
RMSD bond length	0.006
RMSD bond angle	0.854
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHENIX (1.11)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.510	46.510	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.044	0.030	0.682
Rmeas	0.046	0.032	0.721
Rpim	0.015	0.011	0.234
Total number of observations	384350	2385	17407
Number of reflections	38704	268	1885
<I/σ(I)>	22.2	54	2.7
Completeness [%]	98.5	99.4	97.6
Redundancy	9.9	8.9	9.2
CC(1/2)	0.999	0.999	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MES pH 6.0 14 % PEG 4000