8SRN

De novo designed transmembrane antiparallel homo-dimer G-X6-G 01322-42

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	2023-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	54.008, 71.408, 101.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.626 - 3.275
R-factor	0.2531
Rwork	0.253
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.757
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	3.360
High resolution limit [Å]	3.275	8.950	3.275
Rmerge	0.094	0.051	0.469
Rmeas	0.099	0.054	0.498
Rpim	0.030	0.018	0.158
Number of reflections	3003	183	116
<I/σ(I)>	7.2
Completeness [%]	93.7	98.4	78.4
Redundancy	9.6	9.4	7.4
CC(1/2)	1.000	0.996	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Sodium chloride, 0.1 M Lithium sulfate, 0.1 M Sodium citrate pH 3.5, 30% PEG400