9BNC

Collagen XVIII trimerization domain with introduced inter-chain disulfide bond, E31C-V37C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-03-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979338
Spacegroup name	P 21 21 21
Unit cell lengths	38.360, 58.078, 67.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.010 - 1.400
R-factor	0.1722
Rwork	0.171
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.094
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.010	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.051	0.215
Rmeas	0.053	0.240
Rpim	0.015	0.102
Number of reflections	29542	2435
<I/σ(I)>	26.71
Completeness [%]	97.4	81.41
Redundancy	11.5	5.2
CC(1/2)	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium Sulfate, 0.1 M Tris HCl, pH 8.5, 25% (w/v) PEG3350