6YYV

Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 3-methyl-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	2019-12-01
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 21
Unit cell lengths	48.802, 70.521, 174.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.620 - 1.770
R-factor	0.1745
Rwork	0.173
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jza
RMSD bond length	0.012
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.240	1.960
High resolution limit [Å]	1.770	1.770
Rmerge	0.110	1.876
Number of reflections	43399	2170
<I/σ(I)>	16.1	1.5
Completeness [%]	94.2
Redundancy	13.3
CC(1/2)	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	277	200 mM magnesium acetate tetrahydrate, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 3-methyl-2-oxoglutarate, 18 mg/ml protein