5NKP

Crystal structure of the human KLHL3 Kelch domain in complex with a WNK3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	277
Detector technology	PIXEL
Collection date	2016-07-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	84.660, 169.720, 123.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.025 - 2.800
R-factor	0.2298
Rwork	0.229
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ch9
RMSD bond length	0.013
RMSD bond angle	1.129
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.030	50.030	2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge	0.387	0.060	2.205
Rmeas	0.403	0.063	2.290
Rpim	0.109	0.019	0.615
Total number of observations		3314	22361
Number of reflections	22387
<I/σ(I)>	7.9	30	1.4
Completeness [%]	100.0	98.7	100
Redundancy	13.3	11.3	13.6
CC(1/2)	0.983	0.999	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	6% PEG4K -- 0.1M acetate pH 5.1