4RYA

Crystal structure of abc transporter solute binding protein AVI_3567 from AGROBACTERIUM VITIS S4, TARGET EFI-510645, with bound D-mannitol

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	2014-12-05
Detector	RAYONIX MX225HE
Spacegroup name	P 1 21 1
Unit cell lengths	59.413, 61.256, 65.501
Unit cell angles	90.00, 104.01, 90.00

Refinement procedure

Resolution	25.000 - 1.500
R-factor	0.13314
Rwork	0.132
R-free	0.16824
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.565
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.122	0.490
Number of reflections	73250
<I/σ(I)>	12.95	4.5
Completeness [%]	99.3	98.4
Redundancy	7.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM D-MANNITOL), RESERVOIR: 0.085 M TRIS-HCL, PH 8.5, 0.17 M SODIUM ACETATE, 25% PEG3350, 15% (V/V) GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K