9ZO0

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	38.431, 57.812, 65.641
Unit cell angles	91.13, 90.36, 89.62

Refinement procedure

Resolution	38.430 - 1.990
R-factor	0.1892
Rwork	0.186
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.956
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	0.078	0.041	0.604
Rmeas	0.107	0.056	0.852
Rpim	0.073	0.039	0.600
Total number of observations	65955
Number of reflections	34088	1768	1533
<I/σ(I)>	8.2
Completeness [%]	88.0	91.4	78.7
Redundancy	1.9	2.1	1.5
CC(1/2)	0.979	0.991	0.441

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 cesium formate 20% PEG 3350