8SGE

KLHDC2 Kelch Domain with ligand KDRLKZ-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-01
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	44.900, 88.490, 89.220
Unit cell angles	90.00, 104.45, 90.00

Refinement procedure

Resolution	86.400 - 1.509
R-factor	0.18
Rwork	0.179
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7 (18-SEP-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.400	1.611
High resolution limit [Å]	1.509	1.509
Rmerge	0.064	0.869
Number of reflections	81396	4071
<I/σ(I)>	9.4	1.4
Completeness [%]	99.7	51.3
Redundancy	3.5	3.5
CC(1/2)	0.997	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	11mM Tris pH 8.0, 8mM Hexamine cobalt, 260-450 mM NaCl, and 24-34% PEG4000