5DKV

Crystal Structure of an ABC transporter Solute Binding Protein from Agrobacterium vitis(Avis_5339, TARGET EFI-511225) bound with alpha-D-Tagatopyranose

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	2015-08-12
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	56.181, 65.887, 79.660
Unit cell angles	87.41, 90.26, 82.23

Refinement procedure

Resolution	29.960 - 1.680
R-factor	0.1348
Rwork	0.133
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rxt
RMSD bond length	0.010
RMSD bond angle	1.266
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.680	4.560	1.680
Rmerge	0.097	0.069	0.285
Rmeas	0.113	0.081	0.336
Rpim	0.057	0.041	0.175
Total number of observations	496260
Number of reflections	125026
<I/σ(I)>	9.3
Completeness [%]	97.2	98.4	95.1
Redundancy	4	3.9	3.7
CC(1/2)		0.990	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (10mM D-tagatose, 10 mM HEPES, 5 mM DTT); Reservoir (0.1M Bis-Tris:HCl, 25%(w/v) PEG 3350); Cryoprotection (20% Diethylene glycol, 80% Reservoir)