9EG0

Co-MAHF-9 Metal Alpha-Helix Framework

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	PIXEL
Collection date	2022-04-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.619920
Spacegroup name	C 1 2 1
Unit cell lengths	30.067, 12.400, 17.347
Unit cell angles	90.00, 93.72, 90.00

Refinement procedure

Resolution	11.720 - 0.920
R-factor	0.1486
Rwork	0.146
R-free	0.16810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.660
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.720	0.953
High resolution limit [Å]	0.920	0.920
Number of reflections	4490	459
<I/σ(I)>	14.32
Completeness [%]	97.6
Redundancy	6.3
CC(1/2)	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING		298	water, acetonitrile, methanol, cobalt acetate