6TG7

Crystal structure of the CheY in presence of magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97911
Spacegroup name	P 21 21 21
Unit cell lengths	45.399, 46.924, 53.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.530 - 1.650
R-factor	0.186
Rwork	0.184
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbe
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.530	34.530	1.777
High resolution limit [Å]	1.665	6.320	1.665
Rmerge	0.243	0.091	1.510
Rmeas	0.216	0.103	0.637
Rpim	0.094	0.047	0.284
Total number of observations		1175	5292
Number of reflections	10526	281	1157
<I/σ(I)>	5.5	14.7	2.6
Completeness [%]	76.1	96.1	21.9
Redundancy	4.8	4.2	4.8
CC(1/2)	0.986	0.989	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	20% PEG 6000, 0.2 MAGNESIUM ACETATE, 0.1 SODIUM ACETATE