9HRE

Peptide-substrate-binding (PSB) domain of human type I collagen prolyl 4-hydroxylase complexed with Pro-Hyp-Gly-Pro-Ala-Gly-Pro-Hyp-Gly.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	81.041, 85.561, 92.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.890 - 2.050
Rwork	0.197
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.686
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.510	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.072	1.650
Rpim	0.030	0.676
Number of reflections	40436	3046
<I/σ(I)>	14.8	1.6
Completeness [%]	98.8	97.2
Redundancy	6.6	6.8
CC(1/2)	0.999	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	278	30% MPD, 48 mM MgCl2, 50 mM KCl, 100 mM MOPS, 5 mM peptide (POG-PAG-POG)