9C9N

Crystal structure of Fe/2-OG dependent dioxygenase MysH in complex with nickel and succinate

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	44.291, 44.291, 107.349
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.170 - 1.450
R-factor	0.1851
Rwork	0.184
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.851
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.170	1.506
High resolution limit [Å]	1.450	1.454
Rmerge	0.092	0.649
Rmeas	0.100	0.717
Rpim	0.041	0.302
Number of reflections	41408	4122
<I/σ(I)>	10.45	2.14
Completeness [%]	99.9	99.11
Redundancy	5.9	5.5
CC(1/2)	0.997	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277.15	0.3 M Sodium acetate trihydrate, 0.1 M TRIS hydrochloride pH 8.5, 35 % PEG 4000