9JM4

Crystal structure of de novo designed light-responsive oligomer C3-7 (LRO-C3-7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-22
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5
Spacegroup name	P 43 3 2
Unit cell lengths	133.198, 133.198, 133.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.070 - 2.340
R-factor	0.2327
Rwork	0.230
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.052
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.070	2.424
High resolution limit [Å]	2.340	2.340
Rmerge	0.259
Number of reflections	17414	992
<I/σ(I)>	8
Completeness [%]	71.7
Redundancy	7.1
CC(1/2)	0.994	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M Citric acid pH 3.5, 34% v/v Polyethylene glycol 200