9ZNM

WNK1/SA kinase domain in complex with potassium formate at 1 Angstrom wavelength

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-08
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	38.250, 57.720, 65.605
Unit cell angles	89.00, 89.65, 89.22

Refinement procedure

Resolution	42.960 - 2.000
R-factor	0.1797
Rwork	0.177
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.882
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.105	0.070	0.530
Rmeas	0.113	0.075	0.578
Rpim	0.041	0.027	0.229
Total number of observations	261544
Number of reflections	35704	1816	1807
<I/σ(I)>	6.7
Completeness [%]	92.0	93.9	91.8
Redundancy	7.3	7.9	5.6
CC(1/2)	0.986	0.993	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	50 mM Tris/HCl pH 7.4, 5 mM EDTA, 200 mM potassium formate, 20% PEG 3350