7YBB

Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate 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	87.457, 123.608, 50.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.500 - 1.680
R-factor	0.1957
Rwork	0.195
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jtc
RMSD bond length	0.013
RMSD bond angle	1.271
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.390	1.830
High resolution limit [Å]	1.680	1.680
Rmerge	0.246	1.978
Rmeas	0.256	2.056
Rpim	0.072	0.559
Number of reflections	41711	2087
<I/σ(I)>	7.9	1.5
Completeness [%]	94.7	69.5
Redundancy	13	13.4
CC(1/2)	0.992	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.02 M Sodium/potassium phosphate, 20 % w/v Polyethylene glycol 3,350, 0.1 M Bis-Tris propane