6OS4

Calmodulin in complex with farnesyl cysteine methyl ester

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1, 1.77
Spacegroup name	P 61 2 2
Unit cell lengths	40.379, 40.379, 338.137
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.969 - 2.050
R-factor	0.1945
Rwork	0.191
R-free	0.22490
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.049	0.035	0.480
Rmeas	0.051	0.037	0.498
Rpim	0.013	0.010	0.127
Total number of observations	226154
Number of reflections	16439	1047	789
<I/σ(I)>	8.9
Completeness [%]	99.6	100	94.4
Redundancy	13.8	14.1	13
CC(1/2)		0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	0.2mM sodium acetate, 0.1mM cacodylate, 28% PEG 8000