9D7Q

Water and chloride as allosteric inhibitors in WNK kinase osmosensing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	50.170, 113.596, 67.524
Unit cell angles	90.00, 101.36, 90.00

Refinement procedure

Resolution	43.107 - 3.301
Rwork	0.177
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.617
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.107	3.360
High resolution limit [Å]	3.300	3.300
Number of reflections	7872	50
<I/σ(I)>	9.8
Completeness [%]	75.0	55
Redundancy	5.2
CC(1/2)	0.960	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	8% Tacsimate, 10% PEG3350