8K0K

Crystal structure of Csy complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	238.853, 95.077, 204.031
Unit cell angles	90.00, 93.16, 90.00

Refinement procedure

Resolution	46.295 - 2.995
R-factor	0.2
Rwork	0.198
R-free	0.23810
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.650
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.100
High resolution limit [Å]	2.995	3.000
Rmerge	0.144	0.912
Number of reflections	85253	6128
<I/σ(I)>	14.9
Completeness [%]	97.5
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Sodium acetate