9EHQ

Co-MAHF-9 A8M 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	C 2 2 21
Unit cell lengths	10.704, 31.364, 40.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.680 - 1.130
R-factor	0.1264
Rwork	0.123
R-free	0.15250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.721
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]	15.680	1.290
High resolution limit [Å]	1.130	1.130
Number of reflections	4496	1244
<I/σ(I)>	7.59
Completeness [%]	90.2
Redundancy	6.4
CC(1/2)	0.977	0.914

Crystallization Conditions

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