9FVZ

Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and a Factor X derived peptide fragment

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 X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	49.617, 86.042, 123.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.290 - 1.980
R-factor	0.1855
Rwork	0.184
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.300	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.130	1.598
Rpim	0.037	0.446
Number of reflections	39574	1978
<I/σ(I)>	11	0.8
Completeness [%]	100.0	100
Redundancy	13.4	13.6
CC(1/2)	0.999

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