8GKX

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	2021-11-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.688800
Spacegroup name	P 1 21 1
Unit cell lengths	10.158, 48.141, 17.967
Unit cell angles	90.00, 93.77, 90.00

Refinement procedure

Resolution	17.930 - 0.810
R-factor	0.1268
Rwork	0.126
R-free	0.13810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.913
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]	17.930	0.839
High resolution limit [Å]	0.810	0.810
Rmerge	0.111	0.557
Number of reflections	32406	1718
<I/σ(I)>	11.26
Completeness [%]	97.3
Redundancy	6.1

Crystallization Conditions

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