4OVR

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM XANTHOBACTER AUTOTROPHICUS PY2, TARGET EFI-510329, WITH BOUND BETA-D-GALACTURONATE

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	2013-11-08
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	90.314, 111.362, 59.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.501 - 1.650
R-factor	0.142
Rwork	0.141
R-free	0.17030
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.251
Data scaling software	SCALA
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	111.362	111.362	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge		0.040	0.745
Rmeas	0.116	0.068	0.814
Rpim	0.031	0.018	0.230
Total number of observations	991316	32287	126449
Number of reflections	72924
<I/σ(I)>	17.9	42.8	3.5
Completeness [%]	99.9	97.9	99.9
Redundancy	13.6	13	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (29.4 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-Galacturonate); Reservoir (00.8 M Lithium Chloride 0.1 M Tris pH 8.5 32 %(w/v) PEG 4000); Cryoprotection (80% of 50% Peg3350, 20% Reservoir)