7YBA

Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-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)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	48.700, 70.202, 172.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.220 - 1.860
R-factor	0.1825
Rwork	0.181
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jza
RMSD bond length	0.017
RMSD bond angle	1.382
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.225	2.142
High resolution limit [Å]	1.860	1.862
Rmerge	0.115	1.582
Rmeas	0.119	1.650
Rpim	0.033	0.460
Number of reflections	30212	1512
<I/σ(I)>	15.1	1.7
Completeness [%]	88.9	51.8
Redundancy	13	12.5
CC(1/2)	0.999	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	0.2 M Ammonium acetate, 20% w/v Polyethylene glycol 3,350