9FVY

Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate, succinate and the hudroxylated product of Factor X derived peptide fragment after O2 exposure

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	2023-08-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	50.260, 86.830, 123.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.500 - 1.900
R-factor	0.1788
Rwork	0.178
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.611
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.280	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.102	1.924
Rmeas	0.106	1.999
Rpim	0.029	0.541
Number of reflections	43435	2165
<I/σ(I)>	15	1.4
Completeness [%]	100.0	100
Redundancy	13.5	13.5
CC(1/2)	0.999	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	278	0.1 M bis tris propane pH 7.5, 0.2 M NaBr, 20% PEG 3350