9EG2

Co-MAHF-9 A8F 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	2022-09-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.688839
Spacegroup name	C 1 2 1
Unit cell lengths	30.602, 12.668, 19.348
Unit cell angles	90.00, 118.99, 90.00

Refinement procedure

Resolution	16.920 - 0.890
R-factor	0.1755
Rwork	0.174
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	2.070
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]	16.920	0.940
High resolution limit [Å]	0.890	0.890
Number of reflections	14755	1102
<I/σ(I)>	2.61
Completeness [%]	94.4	93.87
Redundancy	3.3
CC(1/2)	0.968	0.038

Crystallization Conditions

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