9GI5

Fe(II)-2-oxoglutarate-dependent Oryza sativa dioxygenase HSL1 in complex with 2-oxoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	89.671, 102.593, 156.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.300 - 2.350
R-factor	0.1993
Rwork	0.198
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.686
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.990	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.142	1.472
Rmeas	0.154	1.595
Rpim	0.057	0.608
Number of reflections	60655	4415
<I/σ(I)>	12.9	1.7
Completeness [%]	99.9	99.8
Redundancy	13.7	13.1
CC(1/2)	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	20% v/v PEG 500* MME; 10% w/v PEG 20000 0.1M Sodium HEPES; MOPS (acid), pH 7.5 0.06M Magnesium chloride hexahydrate; 0.06M Calcium chloride dihydrate