9EJU

Co-MAHF-9 A8N Metal Alpha-Helix Framework

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.688790
Spacegroup name	P 1
Unit cell lengths	10.024, 16.241, 48.919
Unit cell angles	89.95, 89.83, 72.59

Refinement procedure

Resolution	48.920 - 1.170
R-factor	0.2211
Rwork	0.213
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.627
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]	48.920	1.212
High resolution limit [Å]	1.170	1.170
Number of reflections	9568	918
<I/σ(I)>	7.59
Completeness [%]	96.1
Redundancy	3.5
CC(1/2)	0.994	0.886

Crystallization Conditions

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