7C10

Dithiol cGrx1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-03
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	93.420, 61.105, 93.940
Unit cell angles	90.00, 104.24, 90.00

Refinement procedure

Resolution	37.069 - 2.806
R-factor	0.2248
Rwork	0.219
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tr1
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.047	0.030	0.126
Rmeas	0.051	0.033	0.142
Rpim	0.020	0.013	0.064
Total number of observations	71066
Number of reflections	12448	605	580
<I/σ(I)>	33.7
Completeness [%]	98.1	90.2	95.1
Redundancy	5.7	6.3	4.2
CC(1/2)		0.999	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M sodium phosphate/citric acid pH4.2, 0.2M Lithium sulfate, 20% PEG 1000