8GA6

Geometrically programmable nanomaterial construction using regularized protein building blocks

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	CCD
Collection date	2019-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97901
Spacegroup name	P 1 21 1
Unit cell lengths	34.962, 120.421, 52.270
Unit cell angles	90.00, 105.65, 90.00

Refinement procedure

Resolution	46.440 - 2.500
R-factor	0.2706
Rwork	0.266
R-free	0.31740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.332
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]	46.440	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.137	0.778
Rpim	0.084	0.463
Number of reflections	14161	1330
<I/σ(I)>	5.24	1.69
Completeness [%]	98.0	95.07
Redundancy	3.7	3.8
CC(1/2)	0.982	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M mixture of 0.2M DL-Glutamic acid monohydrate; 0.2M DL-Alanine; 0.2M Glycine; 0.2M DL-Lysine monohydrochloride; 0.2M DL-Serine, 0.1 M mixture of 1M Imidazole; MES monohydrate (acid) pH 6.5, 30% mixture of 40% v/v Ethylene glycol; 20% w/v PEG 8000