6XI6

Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat 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)	0.97918
Spacegroup name	H 3
Unit cell lengths	101.970, 101.970, 78.444
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.480 - 2.690
R-factor	0.2268
Rwork	0.221
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Designed model
RMSD bond length	0.001
RMSD bond angle	0.306
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17rc1_3605)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.480	2.780
High resolution limit [Å]	2.690	2.690
Number of reflections	8434	844
<I/σ(I)>	11.4	2.3
Completeness [%]	99.6	99.41
Redundancy	4.8	2.3
CC(1/2)	0.997	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M MgCl2, 0.1 TrisCl pH 8.5. 10 % Glycerol and 25 (v/v) 1,2-Propanediol