6ZGS

Crystal structure of a MFS transporter with bound 3-phenylpropanoic acid at 2.39 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	2019-02-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	102.146, 199.681, 61.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.969 - 2.151
R-factor	0.2177
Rwork	0.216
R-free	0.25200
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]	49.480	49.480	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge	0.092	0.040
Rmeas	0.095	0.042	41.690
Rpim	0.022	0.010	9.351
Total number of observations	1363607
Number of reflections	69378	2417	9929
<I/σ(I)>	19.1
Completeness [%]	99.8	99.7	99.1
Redundancy	19.7	15.6	19.4
CC(1/2)	0.999	0.999	0.122

Crystallization Conditions

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