7SSU

Structure of EmrE-D3 mutant in complex with monobody L10 and methyltriphenylphosphonium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-09-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9183
Spacegroup name	C 1 2 1
Unit cell lengths	141.171, 50.870, 110.799
Unit cell angles	90.00, 92.69, 90.00

Refinement procedure

Resolution	58.240 - 3.220
R-factor	0.2944
Rwork	0.292
R-free	0.33280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wk8
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.500	3.420
High resolution limit [Å]	3.220	3.220
Rmerge	0.152	0.656
Rmeas		0.707
Number of reflections	8969	448
<I/σ(I)>	10.4
Completeness [%]	88.6	13.22
Redundancy	6.6
CC(1/2)	0.967	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M lithium nitrate, 0.1 M ADA, pH 6.5, 33% PEG600