8G9J

Geometrically programmable nanomaterial construction using regularized protein building blocks

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-03-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99993
Spacegroup name	P 41 21 2
Unit cell lengths	49.701, 49.701, 129.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.390 - 2.500
R-factor	0.2386
Rwork	0.233
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.517
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_4761)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.390	2.750
High resolution limit [Å]	2.500	2.500
Rmerge	0.069	0.431
Rpim	0.069
Number of reflections	6005	1404
<I/σ(I)>	6.62	1.2
Completeness [%]	98.6	95.58
Redundancy	1.7	1.3
CC(1/2)	0.999	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 5.5, and 25% w/v Polyethylene glycol 3,350