9FVW

Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Fe, 2OG, SIN and hydroxylated product of Factor X peptide fragment (39mer-4Ser)

This is a non-PDB format compatible entry.

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	50.010, 88.210, 123.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.500 - 1.900
R-factor	0.1906
Rwork	0.189
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.726
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]	50.030	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.123	2.296
Rmeas	0.128	2.390
Number of reflections	43815	2162
<I/σ(I)>	12.7	1
Completeness [%]	100.0	99.4
Redundancy	13.4	12.8
CC(1/2)	0.999	0.604

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