9FVX

Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2-oxoglutarate and 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 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	49.580, 85.620, 123.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.910 - 1.900
R-factor	0.1835
Rwork	0.182
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.586
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.050	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.103	2.216
Rmeas	0.107	2.302
Rpim	0.029	0.620
Number of reflections	42230	2042
<I/σ(I)>	15.1	1.2
Completeness [%]	100.0	13.6
Redundancy	13.4	100
CC(1/2)	0.999	0.592

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