9MEP

Co-MAHF-9 A8W Metal Alpha-Helix Framework

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2022-07-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978560
Spacegroup name	P 1
Unit cell lengths	9.958, 16.313, 21.437
Unit cell angles	89.76, 87.00, 72.40

Refinement procedure

Resolution	15.550 - 0.990
R-factor	0.096
Rwork	0.094
R-free	0.11630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.516
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]	15.550	1.025
High resolution limit [Å]	0.990	0.990
Number of reflections	6172	464
<I/σ(I)>	11.78
Completeness [%]	86.3
Redundancy	3.4
CC(1/2)	0.954	0.913

Crystallization Conditions

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