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CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEG_1704, TARGET EFI-510967) WITH BOUND D-GALACTOSE

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	2014-10-20
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	68.045, 83.617, 100.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.622 - 1.200
R-factor	0.1392
Rwork	0.139
R-free	0.15370
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.256
Data scaling software	Aimless (0.1.27)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.240	100.240	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.123	0.047	0.854
Rpim	0.034	0.013	0.288
Total number of observations	2440330	16225	67043
Number of reflections	176088
<I/σ(I)>	17.2	57.1	2.7
Completeness [%]	98.6	99.9	84.3
Redundancy	13.9	12.9	9.1
CC(1/2)	0.999	0.999	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (31.9 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-galactose); Reservoir (0.2 M Lithium sulfate, 0.1 M Tris pH 8.5, 30 %(w/v) PEG 4000); Cryoprotection (80% Peg3350 + 20% Reservoir