9Y8R

Crystal structure of the Kelch domain of human KLHL12 with compound 9h

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	2021-12-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	79.780, 79.780, 76.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.229 - 1.334
Rwork	0.160
R-free	0.17270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.872
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]	55.230	1.370
High resolution limit [Å]	1.330	1.330
Rmerge	0.086	0.245
Number of reflections	56571	2772
<I/σ(I)>	18.3	8.2
Completeness [%]	100.0	100
Redundancy	13	12.9
CC(1/2)	0.997	0.984

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