9EH3

Co-MAHF-9 A8Q Metal Alpha-Helix Frameworks

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.688790
Spacegroup name	P 1 21 1
Unit cell lengths	9.973, 41.838, 16.105
Unit cell angles	90.00, 106.17, 90.00

Refinement procedure

Resolution	15.470 - 0.800
R-factor	0.1333
Rwork	0.131
R-free	0.15270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.697
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]	15.470	0.820
High resolution limit [Å]	0.800	0.800
Number of reflections	25857	1394
<I/σ(I)>	6.24	0.69
Completeness [%]	97.6	90.13
Redundancy	3.3
CC(1/2)	0.993	0.391

Crystallization Conditions

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