6XH5

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	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	166.766, 166.766, 223.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.120 - 3.320
R-factor	0.2217
Rwork	0.219
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Designed model
RMSD bond length	0.002
RMSD bond angle	0.457
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18rc2_3793)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.120	3.430
High resolution limit [Å]	3.320	3.320
Rpim	0.046	0.349
Number of reflections	47181	4621
<I/σ(I)>	17.98	2.09
Completeness [%]	99.9	28.4
Redundancy	27.2
CC(1/2)	0.986	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium sulfate, 0.1 Na-acetate pH 4.5 and 2.5 M NaCl