8FBI

Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-11
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	H 3
Unit cell lengths	115.661, 115.661, 72.079
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.510 - 3.610
R-factor	0.2384
Rwork	0.233
R-free	0.27880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.326
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.510	3.960
High resolution limit [Å]	3.610	3.610
Rmerge	0.212	0.663
Number of reflections	4127	983
<I/σ(I)>	4.2	1.8
Completeness [%]	100.0	100
Redundancy	4.5	5.6
CC(1/2)	0.978	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2 M ammonium acetate, 0.1 M Na3C6H5O7, pH 5.6, 30% v/v MPD