7O86

1.73A X-ray crystal structure of the conserved C-terminal (CCT) of human SPAK

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	2020-12-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 21 21 21
Unit cell lengths	39.611, 50.549, 103.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.450 - 1.730
R-factor	0.2009
Rwork	0.199
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v3s
RMSD bond length	0.012
RMSD bond angle	1.172
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.450	1.792
High resolution limit [Å]	1.730	1.730
Rmeas	0.266
Rpim	0.073
Number of reflections	22482	2168
<I/σ(I)>	6.83	0.43
Completeness [%]	99.6	97.88
Redundancy	13.1	12.8
CC(1/2)	0.997	0.281

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	150nls Protein (1.4mgs/ml in 20 mM Tris.HCl pH 7.8, 50mM NaCl, 1mM DTT) was mixed with 50nl Morpheus A5 = 30mM Magnesium chloride hexahydrate, 30mM Calcium chloride dihydrate, 50mM Sodium HEPES, 50mM MOPS pH 7.5, 20% v/v PEG 500* MME, 10% w/v PEG 20000.