6YYU

Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 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	48.791, 70.003, 170.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.440 - 2.110
R-factor	0.2039
Rwork	0.202
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jza
RMSD bond length	0.017
RMSD bond angle	1.619
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]	85.440	2.420
High resolution limit [Å]	2.110	2.110
Rmerge	0.185	1.746
Number of reflections	20459	1024
<I/σ(I)>	11	1.6
Completeness [%]	90.8	56.2
Redundancy	13.2
CC(1/2)	0.997	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	100 mM HEPES sodium, 10% v/v 2-Propanol, 20% w/v PEG 4000, 1 mM manganese chloride, 2 mM 2-oxoglutarate, 18 mg/ml protein