9Y8T

Crystal structure of the Kelch domain of human KLHL12 with compound 10b

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2022-04-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.99
Spacegroup name	P 41 21 2
Unit cell lengths	80.230, 80.230, 76.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.730 - 1.400
R-factor	0.18083
Rwork	0.179
R-free	0.20841
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.756
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.730	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.162	1.978
Rmeas	0.169	2.080
Rpim	0.045	0.623
Total number of observations	684846	25098
Number of reflections	50194	2402
<I/σ(I)>	10.7	1.2
Completeness [%]	99.9
Redundancy	13.6	10.4
CC(1/2)	0.997	0.367

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