9MEO

Co-MAHF-9 A8D 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 21 1
Unit cell lengths	10.104, 41.902, 16.276
Unit cell angles	90.00, 107.77, 90.00

Refinement procedure

Resolution	15.500 - 0.850
R-factor	0.2093
Rwork	0.207
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.471
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]	15.500	0.880
High resolution limit [Å]	0.850	0.850
Number of reflections	11345	1102
<I/σ(I)>	5.31
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.996	0.423

Crystallization Conditions

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