9PYO

Crystal structure of Fe/2-OG dependent dioxygenase MysH in complex with iron and 2-oxoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 31
Unit cell lengths	44.495, 44.495, 107.316
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.220 - 1.500
R-factor	0.2091
Rwork	0.208
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.845
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.21.1_5286)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.220	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	75263	5156
<I/σ(I)>	7.59	1.26
Completeness [%]	99.6
Redundancy	2.9
CC(1/2)	0.995	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277.15	0.2 M Sodium acetate trihydrate, 0.1 M TRIS hydrochloride pH 8.5, 35 % PEG 4000