8RE9

Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Mn, 2-oxoglutarate and a 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	2023-07-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	49.680, 86.190, 123.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.100 - 1.840
R-factor	0.1638
Rwork	0.162
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.900
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]	49.680	1.870
High resolution limit [Å]	1.840	1.840
Rmerge	0.092	1.383
Rmeas	0.095	1.439
Rpim	0.026	0.394
Total number of observations	627029	28478
Number of reflections	46657	2216
<I/σ(I)>	19.5	1.8
Completeness [%]	100.0
Redundancy	13.4	12.9
CC(1/2)	1.000	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES pH 7.5 20 % v/v PEG Smear High (BCS screen)