7UPO

Crystal structure of designed heterotrimeric assembly DHT03

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	P 1
Unit cell lengths	37.250, 39.920, 50.420
Unit cell angles	88.97, 105.79, 115.32

Refinement procedure

Resolution	48.210 - 2.100
R-factor	0.231
Rwork	0.226
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	de novo designed DHT03
RMSD bond length	0.002
RMSD bond angle	0.359
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.210	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.040	0.709
Rmeas	0.057	1.003
Rpim	0.040	0.709
Number of reflections	11814	500
<I/σ(I)>	8.68	0.95
Completeness [%]	74.0
Redundancy	1.9
CC(1/2)	0.994	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.15	0.1M HEPES pH7.5, 20%(w/v) PEG8000