6YYW

Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 21
Unit cell lengths	50.439, 90.951, 123.605
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.640 - 2.270
R-factor	0.1902
Rwork	0.188
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jtc
RMSD bond length	0.014
RMSD bond angle	1.514
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.640	2.340
High resolution limit [Å]	2.270	2.270
Rmerge	0.125	0.863
Number of reflections	26364	1700
<I/σ(I)>	12	1.8
Completeness [%]	97.2	69.9
Redundancy	12.6
CC(1/2)	0.998	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	100 mM Bis Tris Propane, 200 mM sodium acetate trihydrate, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 2-oxoglutarate, 18 mg/ml protein