9Y8K

Crystal structure of the Kelch domain of human KLHL12 with compound 7k

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	80.064, 80.064, 76.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.650 - 1.270
R-factor	0.1814
Rwork	0.181
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.936
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]	27.650	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.072	0.328
Number of reflections	66103	6316
<I/σ(I)>	47.6	9.2
Completeness [%]	99.9	97.7
Redundancy	6.9	6
CC(1/2)	0.996	0.912

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