7T00

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

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	2021-11-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.918
Spacegroup name	C 1 2 1
Unit cell lengths	140.180, 50.120, 110.730
Unit cell angles	90.00, 92.79, 90.00

Refinement procedure

Resolution	55.300 - 3.910
R-factor	0.3316
Rwork	0.330
R-free	0.36710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mh6
Data reduction software	MOSFLM
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.007	4.220
High resolution limit [Å]	3.907	3.907
Rmerge		1.222
Number of reflections	5088	339
<I/σ(I)>	5.4
Completeness [%]	84.4	67.7
Redundancy	6.2
CC(1/2)	0.837	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M HEPES, pH 7.25, 33% PEG600, 0.1 M ammonium sulfate