9BTN

Structure of human SHOC2 in complex with a cyclic peptide

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	2022-09-12
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	38.764, 69.567, 200.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.780 - 2.040
R-factor	0.206
Rwork	0.203
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.494
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.170	2.046
High resolution limit [Å]	2.039	2.039
Rmerge	0.147
Rmeas	0.153
Number of reflections	35606	344
<I/σ(I)>	14.4
Completeness [%]	100.0	100
Redundancy	12.9	13.4
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.05 M Hepes pH 7.5, 35% v/v pentaerythritol propoxylate 5/4 PO/OH (PP 5/4 PO/OH), 0.2M KCl