8GL4

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	2021-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.688800
Spacegroup name	P 21 2 21
Unit cell lengths	8.733, 16.487, 55.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.490 - 0.760
R-factor	0.1075
Rwork	0.108
R-free	0.10400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.353
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]	16.490	0.787
High resolution limit [Å]	0.760	0.760
Rmerge	0.038	0.224
Number of reflections	18949	936
<I/σ(I)>	36.99
Completeness [%]	98.5
Redundancy	10.5

Crystallization Conditions

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