4NE4

Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 21 21 21
Unit cell lengths	45.888, 64.388, 100.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.730
R-factor	0.1533
Rwork	0.152
R-free	0.18650
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.149
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.730	4.690	1.730
Rmerge	0.083	0.054	0.459
Number of reflections	31774
<I/σ(I)>	10
Completeness [%]	100.0	99.4	100
Redundancy	7.9	7.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	PEG3350 25%, Li-Sulfate 0.2M, Bis-Tris 0.1M, pH 5.5, vapor diffusion, sitting drop, temperature 293K