9OHS

Crystal structure of human FTO in complex with Ga(III) and ascorbate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.968600
Spacegroup name	H 3
Unit cell lengths	143.872, 143.872, 85.241
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.220 - 3.072
R-factor	0.1992
Rwork	0.193
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.246
Data reduction software	XDS (VERSION Jan 19, 2025 BUILT=20250409)
Data scaling software	XDS (VERSION Jan 19, 2025 BUILT=20250409)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.182
High resolution limit [Å]	3.070	3.072
Rmerge	0.129	1.629
Rmeas	0.135	1.708
Rpim	0.042	0.513
Number of reflections	12280	1234
<I/σ(I)>	14.73	1.31
Completeness [%]	100.0	99.84
Redundancy	10.7	11.1
CC(1/2)	0.999	0.283

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	100 mM MES pH 6.5, 1.6M Ammonium sulfate, 10% (v/v) 1,4-Dioxane