9MEQ

Co-MAHF-9 A8Q Dehydrated Metal Alpha-Helix Framework

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-20
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54184
Spacegroup name	C 1 2 1
Unit cell lengths	31.046, 9.842, 44.164
Unit cell angles	90.00, 91.92, 90.00

Refinement procedure

Resolution	15.510 - 1.040
R-factor	0.1787
Rwork	0.172
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.518
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.790	1.080
High resolution limit [Å]	1.040	1.040
Number of reflections	6722	683
<I/σ(I)>	37.41
Completeness [%]	99.8
Redundancy	8.9
CC(1/2)	0.998	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING		298	acetonitrile soaking