4WT7

Crystal structure of an ABC transporter solute binding protein (IPR025997) from Agrobacterium vitis (Avi_5165, Target EFI-511223) with bound allitol

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	2014-10-15
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	77.080, 83.930, 189.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.800 - 2.000
R-factor	0.1861
Rwork	0.184
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l49
RMSD bond length	0.013
RMSD bond angle	1.489
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.880	25.880	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.116	0.040	0.318
Rpim	0.032	0.012	0.085
Total number of observations	563578	6607	45186
Number of reflections	38991
<I/σ(I)>	15.8	31.1	7.4
Completeness [%]	93.1	95.9	100
Redundancy	14.5	12.8	14.7
CC(1/2)	0.998	0.999	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	protein (29.0 mg/mL, 10 mM HEPES, pH 7.5, 5 mM DTT, 10 mM allitol), reservoir (0.2 M lithium chloride, 20% w/v PEG3350), cryoprotection (80% reservoir + 20% glycerol)