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CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-11
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	80.796, 37.670, 105.336
Unit cell angles	90.00, 91.50, 90.00

Refinement procedure

Resolution	24.838 - 2.350
R-factor	0.1607
Rwork	0.157
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ma0
RMSD bond length	0.014
RMSD bond angle	1.410
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.838	500.000	2.390
High resolution limit [Å]	2.350	6.380	2.350
Rmerge	0.083	0.048	0.750
Rmeas	0.093	0.053	0.855
Rpim	0.040	0.022	0.399
Total number of observations	133133
Number of reflections	26617
<I/σ(I)>	9
Completeness [%]	97.6	97.7	89.7
Redundancy	5	5.3	3.9
CC(1/2)		0.993	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-Xylose); Reservoir (MCSG1 G4)(0.2 M Potassium Sodium Tartrate, 20 %(w/v) PEG 3350); Cryoprotection (20% Ethylene Glycol, 80% Reservoir)