36AW

Helloop-GGVVI- A de novo peptide with tertiary structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978720
Spacegroup name	C 1 2 1
Unit cell lengths	38.608, 8.759, 35.054
Unit cell angles	90.00, 107.47, 90.00

Refinement procedure

Resolution	18.410 - 1.130
R-factor	0.1207
Rwork	0.120
R-free	0.12570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.579
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.410	1.170
High resolution limit [Å]	1.130	1.130
Number of reflections	4468	432
<I/σ(I)>	22.39
Completeness [%]	99.0
Redundancy	5.7
CC(1/2)	0.997	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	DMF, water