8GBO

Porous framework formed by assembly of a bipyridyl-conjugated helical peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.619920
Spacegroup name	C 2 2 21
Unit cell lengths	9.857, 31.768, 55.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.720 - 1.060
R-factor	0.1046
Rwork	0.103
R-free	0.11760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.777
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.720	1.098
High resolution limit [Å]	1.060	1.060
Rmerge	0.079	0.272
Number of reflections	7527	372
<I/σ(I)>	19.08
Completeness [%]	98.3
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING		298	Water/Acetonitrile