9Y8L

Crystal structure of the Kelch domain of human KLHL12 with compound 8e

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-06-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	80.287, 80.287, 76.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.770 - 1.270
R-factor	0.1862
Rwork	0.186
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.886
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.770	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.102	0.587
Number of reflections	66661	6356
<I/σ(I)>	62.2	6.5
Completeness [%]	100.0	98.3
Redundancy	18.8	16.8
CC(1/2)	1.000	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M Bis-Tris pH 5.5, 0.2M MgCl2 and 25% PEG3350