4PAF

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RUEGERIA POMEROYI DSS-3 (SPO1773, TARGET EFI-510260) WITH BOUND 3,4-DIHYDROXYBENZOATE

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	62.589, 62.983, 75.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.238 - 1.600
R-factor	0.1445
Rwork	0.143
R-free	0.16730
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.358
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.980	62.980	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.137	0.077	0.705
Rpim	0.056	0.036	0.283
Total number of observations	269298	1235	13746
Number of reflections	38418
<I/σ(I)>	11.2	22.9	3
Completeness [%]	95.6	87.1	99.8
Redundancy	7	4.8	7.1

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 3,4-DIHYDROXYBENZOATE); Reservoir (0.1 M Bis-Tris Propane pH 7, 60 %(v/v) tacsimate); Cryoprotection (80% Reservoir + 20% Diethylene Glycol)