4N7X

The E254A mutant of the sodium bile acid symporter from Yersinia frederiksenii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99991
Spacegroup name	P 21 21 21
Unit cell lengths	54.162, 73.859, 85.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.758 - 2.500
R-factor	0.2113
Rwork	0.209
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.790
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.085	0.032	0.416
Number of reflections	12188
<I/σ(I)>	6.8
Completeness [%]	98.0	99.9	80.5
Redundancy	13	12.8	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Lipid Cubic Phase	8.5	298	39% PEG 400, 100 mM Tris-HCL, 100 mM KCl, 20 mM MnCl2, 1-oleoyl-rac-glycerol, pH 8.5, Lipid Cubic Phase, temperature 298K