5G3Q

Crystal structure of a hypothetical domain in WNK1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-20
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	39.238, 70.324, 82.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.502 - 1.613
R-factor	0.2028
Rwork	0.202
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UNRELEASED SAD-DETERMINED SELENOMETHIOINE MODEL
RMSD bond length	0.018
RMSD bond angle	1.621
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.300	1.620
High resolution limit [Å]	1.610	1.610
Rmerge	0.030	0.690
Number of reflections	30010
<I/σ(I)>	27	2.3
Completeness [%]	99.9	94.8
Redundancy	6.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20% PEG3350 -- 10% ETHYLENE GLYCOL -- 0.1M BIS-TRIS-PROPANE PH 6.5 -- 0.2M SODIUM FORMATE