9EG3

Co-MAHF-9 A8H 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 2 2 21
Unit cell lengths	11.033, 30.866, 40.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.430 - 1.040
R-factor	0.1031
Rwork	0.102
R-free	0.11040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.468
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]	14.430	1.140
High resolution limit [Å]	1.040	1.040
Number of reflections	6478	1199
<I/σ(I)>	8.94
Completeness [%]	95.0
Redundancy	6.4
CC(1/2)	0.998	0.536

Crystallization Conditions

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