7YB8

Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96857
Spacegroup name	P 21 21 21
Unit cell lengths	49.879, 91.063, 122.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.780 - 1.980
R-factor	0.2205
Rwork	0.219
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jtc
RMSD bond length	0.002
RMSD bond angle	0.500
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.060	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.238	3.527
Rmeas	0.248	3.671
Rpim	0.069	1.008
Number of reflections	69097	1927
<I/σ(I)>	5.9	0.3
Completeness [%]	100.0	100
Redundancy	12.8	12.9
CC(1/2)	0.997	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2 M lithium chloride, 20 % w/v Polyethylene glycol 6,000, 0.1 M Tris-HCl