9EHP

Co-MAHF-9 A8C 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	9.917, 16.292, 20.160
Unit cell angles	81.61, 81.50, 72.51

Refinement procedure

Resolution	15.450 - 1.670
R-factor	0.205
Rwork	0.200
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.569
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]	15.450	1.730
High resolution limit [Å]	1.670	1.670
Number of reflections	1336	119
<I/σ(I)>	7.38
Completeness [%]	98.1
Redundancy	3.5
CC(1/2)	0.992	0.854

Crystallization Conditions

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