4OVT

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM OCHROBACTERIUM ANTHROPI (Oant_3902), TARGET EFI-510153, WITH BOUND L-FUCONATE

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	2013-11-20
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	83.109, 123.234, 164.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.216 - 1.800
R-factor	0.1494
Rwork	0.148
R-free	0.17950
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.192
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.594	29.216	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.043	0.788
Rmeas	0.181	0.072	0.844
Rpim	0.047	0.019	0.220
Total number of observations	1132887	36386	159020
Number of reflections	77268
<I/σ(I)>	13.4	33	3.8
Completeness [%]	98.9	98.9	98.2
Redundancy	14.7	13.9	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	Protein (57.4 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM L-Fuconate); Reservoir (0.2 M Sodium Chloride, 0.1 M Acetate pH 4.5, 1.26 M Ammonium Sulfate); Cryoprotection (20% diethylene glycol)