8RE7

Aspartyl/Asparaginyl beta-hydroxylase (AspH) R735W variant 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	2023-02-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	50.107, 91.041, 124.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.500 - 1.950
R-factor	0.2061
Rwork	0.204
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.834
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]	51.500	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.069	0.779
Rmeas	0.072	0.810
Rpim	0.020	0.219
Total number of observations	570576
Number of reflections	42642	2070
<I/σ(I)>	21.6	1.6
Completeness [%]	100.0
Redundancy	13.4	13.4
CC(1/2)	0.917	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES pH 7.5, 0.2 M NaCl, 20% PEG 3350