5TF9

Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-06-30
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	83.065, 104.482, 69.604
Unit cell angles	90.00, 116.50, 90.00

Refinement procedure

Resolution	40.027 - 2.500
R-factor	0.198
Rwork	0.195
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3FPQ
RMSD bond length	0.008
RMSD bond angle	1.014
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.086	0.041	0.468
Total number of observations	68621
Number of reflections	18658
<I/σ(I)>	12.2
Completeness [%]	100.0	99.8	100
Redundancy	3.7	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM HEPES, pH 7.5, 200 mM calcium acetate, 22% PEG3350