4Y9T

CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GLUCOSAMINE

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	2014-11-12
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	36.634, 63.611, 127.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.035 - 1.801
R-factor	0.1499
Rwork	0.148
R-free	0.18920
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.321
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.830
High resolution limit [Å]	1.800	4.890	1.800
Rmerge	0.135	0.124	0.740
Rmeas	0.141	0.129	0.768
Rpim	0.038	0.035	0.203
Total number of observations	333857
Number of reflections	25086
<I/σ(I)>	7.2
Completeness [%]	88.2	97.8	87.1
Redundancy	13.3	13.2	13.6
CC(1/2)		0.993	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (40.65 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-glucosamine); Reservoir (35 %(w/v) PEG 4000); Cryoprotection (Reservoir, Pause in air during transfer to liquid N2)