4WUT

CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS (Avi_5133, TARGET EFI-511220) WITH BOUND D-FUCOSE

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	2014-10-25
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	48.188, 69.367, 92.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.929 - 1.500
R-factor	0.1854
Rwork	0.184
R-free	0.20680
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.262
Data reduction software	MOSFLM
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]	42.730	42.730	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.093	0.083	0.757
Rpim	0.027	0.029	0.222
Total number of observations	606632	1607	29759
Number of reflections	50200
<I/σ(I)>	16.1	22.9	3
Completeness [%]	99.6	58.8	100
Redundancy	12.1	7.1	12.1
CC(1/2)	0.998	0.993	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	Protein (29.0 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-Fucose); Reservoir (0.2 M Calcium Acetate 0.1 M MES pH 6.0, 20 %(w/v) PEG 8000 ); Cryoprotection (80% (50%) Peg 3350, 20% Reservoir