4PBH

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

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	62.591, 62.929, 75.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.870 - 1.200
R-factor	0.1422
Rwork	0.141
R-free	0.15490
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.432
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	48.402
High resolution limit [Å]	1.200
Total number of observations	953302
Number of reflections	87202
<I/σ(I)>	5.4
Completeness [%]	92.8
Redundancy	10.9

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 BENZOIC ACID); Reservoir (0.1 M Bis-Tris Propane pH 7, 60 %(v/v) tacsimate); Cryoprotection (80% Reservoir + 20% glycerol)