9HTD

Peptide-substrate-binding (PSB) domain of human type II 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 32 2 1
Unit cell lengths	56.655, 56.655, 68.828
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.060 - 1.751
Rwork	0.165
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.905
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.77))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.060	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.063	1.075
Rpim	0.026	0.433
Number of reflections	12786	718
<I/σ(I)>	14.2	1.3
Completeness [%]	97.1	98.4
Redundancy	6.6	6.8
CC(1/2)	0.998	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	278	2M ammonium sulphate, 10% dioxane, 100 mM MES, 2 mM Pro-Hyp-Gly-Pro-Ala-Gly-Pro-Hyp-Gly.