8HHI

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	CCD
Collection date	2022-09-30
Detector	Bruker Platinum 135
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	23.728, 94.646, 56.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.370 - 1.400
R-factor	0.161
Rwork	0.156
R-free	0.20900
Structure solution method	AB INITIO PHASING
RMSD bond length	0.005
RMSD bond angle	1.229
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.039	0.265
Rpim	0.013	0.153
Number of reflections	23874	2412
<I/σ(I)>	27.25	4.04
Completeness [%]	91.2	94.67
Redundancy	8.2	3.8
CC(1/2)	0.990	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate, 0.1 M BIS-TRIS pH 5.4, 26 % PEG 2000