9MDG

Co-MAHF-9 A8L 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	2022-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.619920
Spacegroup name	C 1 2 1
Unit cell lengths	48.315, 16.450, 17.586
Unit cell angles	90.00, 101.08, 90.00

Refinement procedure

Resolution	17.260 - 1.410
R-factor	0.1501
Rwork	0.144
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.650
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]	17.260	1.460
High resolution limit [Å]	1.410	1.410
Number of reflections	2652	250
<I/σ(I)>	7.58
Completeness [%]	97.2
Redundancy	6.3
CC(1/2)	0.992	0.753

Crystallization Conditions

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