9HT8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9655
Spacegroup name	P 42 21 2
Unit cell lengths	84.640, 84.640, 90.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.921 - 2.150
Rwork	0.198
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.625
Data reduction software	autoPROC (Grenades_parallel proc)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.170	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.053	2.275
Rpim	0.017	0.713
Number of reflections	18422	1457
<I/σ(I)>	19.8	1
Completeness [%]	99.5	96.6
Redundancy	10.9	10.9
CC(1/2)	0.999	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	278	30% MPD, 50 mM MgCl2, 50 mM KCl, 100 mM MOPS