9EG5

Co-MAHF-9 A8S 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	2022-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.729405
Spacegroup name	C 1 2 1
Unit cell lengths	31.174, 10.726, 21.116
Unit cell angles	90.00, 104.14, 90.00

Refinement procedure

Resolution	20.480 - 0.980
R-factor	0.1163
Rwork	0.114
R-free	0.13780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.730
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]	20.480	1.060
High resolution limit [Å]	0.980	0.980
Number of reflections	6822	834
<I/σ(I)>	10.25
Completeness [%]	89.5
Redundancy	3.3
CC(1/2)	0.995	0.971

Crystallization Conditions

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