6ZGU

Crystal structure of a MFS transporter with bound 3-(2-methylphenyl)propanoic acid at 2.41 Angstroem resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	102.048, 199.703, 61.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.968 - 2.180
R-factor	0.2169
Rwork	0.215
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g9x
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.440	49.440	2.300
High resolution limit [Å]	2.180	6.890	2.180
Rmerge	0.160	0.076
Rmeas	0.164	0.078	31.430
Rpim	0.031	0.017	5.264
Total number of observations	2143898
Number of reflections	66703	2316	9624
<I/σ(I)>	18.9
Completeness [%]	100.0	99.7	99.9
Redundancy	32.1	17.7	34.8
CC(1/2)	0.999	0.999	0.151

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291.15	zinc bromide, HEPES, jeffamine ED-2003