7E6J

Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser)

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	2020-07-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97629
Spacegroup name	P 21 21 21
Unit cell lengths	50.237, 86.841, 123.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.540 - 1.900
R-factor	0.1722
Rwork	0.170
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jtc
RMSD bond length	0.002
RMSD bond angle	0.571
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]	46.540	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.153	1.792
Number of reflections	82246	2159
<I/σ(I)>	10.5	0.8
Completeness [%]	100.0	99.3
Redundancy	13.3	13.7
CC(1/2)	0.998	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	100mM PCTP, 25% w/v PEG 1500