7MGX

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

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	2021-02-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	50.910, 75.070, 111.430
Unit cell angles	92.03, 90.33, 109.20

Refinement procedure

Resolution	32.920 - 3.130
R-factor	0.3071
Rwork	0.306
R-free	0.33170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mh6
Data reduction software	MOSFLM
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.839	3.419
High resolution limit [Å]	3.130	3.130
Rmerge	0.123
Rmeas	0.100
Number of reflections	14289	714
<I/σ(I)>	7.7
Completeness [%]	82.0	72.3
Redundancy	3.7
CC(1/2)	0.939	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M NH4SO4, 0.1 M ADA, pH 6.3, 35% PEG600