5X9R

Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-29
Detector	MAR CCD 130 mm
Wavelength(s)	0.979
Spacegroup name	P 41
Unit cell lengths	93.998, 93.998, 172.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.000 - 3.980
R-factor	0.27473
Rwork	0.273
R-free	0.32330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a1s
RMSD bond length	0.008
RMSD bond angle	1.248
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.000	4.100
High resolution limit [Å]	3.980	4.000
Number of reflections	12743
<I/σ(I)>	30.2	1.9
Completeness [%]	99.2
Redundancy	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM MES pH 6.0-6.5, 100-200 mM NaCl, 32-36% PEG400, 5mM Sodium Citrate