9HNZ

Room temperature structure of Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and hydroxylated Factor X derived peptide fragment, 2 h O2 exposure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-04-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999980
Spacegroup name	P 21 21 21
Unit cell lengths	50.880, 90.404, 124.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.180 - 2.400
R-factor	0.2048
Rwork	0.202
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.427
Data reduction software	DIALS (dials.stills_process)
Data scaling software	cctbx.xfel.merge
Phasing software	PHASER
Refinement software	PHENIX (1.21.1-5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.180	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	23199	1147
<I/σ(I)>	2.826	0.427
Completeness [%]	100.0	100
Redundancy	54.81	33.52
CC(1/2)	0.968	0.135

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	278	16% PEG3350, 0.1 M bis tris propane pH 7.5, 0.1 M KSCN