8HHK

Crystal structure of a triple-helix region of human collagen type III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-29
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	15.335, 29.155, 69.047
Unit cell angles	101.91, 91.58, 101.15

Refinement procedure

Resolution	22.460 - 2.500
R-factor	0.2537
Rwork	0.251
R-free	0.31380
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.487
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.072	0.064
Rpim	0.046	0.044
Number of reflections	3808	3808
<I/σ(I)>	15.93	15.24
Completeness [%]	95.4	91.5
Redundancy	3.4	3
CC(1/2)	0.988	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES sodium pH 7.5, 2% v/v Polyethylene glycol 400 2.0 M Ammonium sulfate