8VEA

De novo designed helical oligomer sg266

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00031
Spacegroup name	P 63
Unit cell lengths	115.335, 115.335, 59.994
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.580 - 3.300
R-factor	0.1902
Rwork	0.184
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.632
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_4761)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.580	3.550
High resolution limit [Å]	3.300	3.300
Rmerge	0.074	0.292
Rpim	0.018	0.078
Number of reflections	6978	1381
<I/σ(I)>	28.45	10.97
Completeness [%]	99.7	99.78
Redundancy	15.9	14.7
CC(1/2)	1.000	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M Ammonium sulfate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350