9ML0

Co-MAHF-9 A8Q Hydrated 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	2024-12-17
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54184
Spacegroup name	P 1 21 1
Unit cell lengths	16.206, 46.634, 19.845
Unit cell angles	90.00, 106.20, 90.00

Refinement procedure

Resolution	15.560 - 0.920
R-factor	0.1422
Rwork	0.139
R-free	0.16700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.972
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]	15.560	0.953
High resolution limit [Å]	0.920	0.920
Number of reflections	19497	1817
<I/σ(I)>	17.86
Completeness [%]	99.1
Redundancy	9.3
CC(1/2)	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING		298	water