4P47

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM OCHROBACTRUM ANTHROPI (Oant_4429), TARGET EFI-510151, C-TERMIUS BOUND IN LIGAND BINDING POCKET

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	2013-10-17
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	54.183, 68.695, 76.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.935 - 1.300
R-factor	0.1648
Rwork	0.164
R-free	0.18800
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.253
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.535	25.535	1.370
High resolution limit [Å]	1.300	4.110	1.300
Rmerge		0.054	0.782
Rmeas	0.116
Rpim	0.043	0.023	0.331
Total number of observations	493001	16126	61852
Number of reflections	70496
<I/σ(I)>	9.9	25	2.4
Completeness [%]	99.6	97.6	98.6
Redundancy	7	6.8	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (40.24 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (0.2 M Ammonium Sulfate, 20 %(w/v) PEG 3350); Cryoprotection (20% ethylene glycol, 80% reservoir)