4PAI

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RUEGERIA POMEROYI DSS-3 (SPO1773, TARGET EFI-510260) WITH BOUND 3-HYDROXYBENZOATE

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	2014-04-04
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	62.780, 63.020, 75.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.338 - 1.400
R-factor	0.1461
Rwork	0.145
R-free	0.16540
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.354
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.340	21.340	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.132	0.084	0.772
Rpim	0.055	0.038	0.327
Total number of observations	399138	1978	18936
Number of reflections	59822
<I/σ(I)>	9.6	19.6	2.7
Completeness [%]	99.9	86.1	100
Redundancy	6.7	5.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (67.94 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM 3-DIHYDROXYBENZOATE); Reservoir (0.1 M Bis-Tris Propane pH 7, 60 %(v/v) tacsimate); Cryoprotection (80% Reservoir + 20% glycerol)