4OA4

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SHEWANELLA LOIHICA PV-4 (Shew_1446), TARGET EFI-510273, WITH BOUND SUCCINATE

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	P 1 21 1
Unit cell lengths	80.216, 117.950, 89.430
Unit cell angles	90.00, 93.00, 90.00

Refinement procedure

Resolution	25.223 - 1.600
R-factor	0.1552
Rwork	0.154
R-free	0.18240
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.209
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	117.950	25.223	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge	0.101	0.053	0.536
Total number of observations		25012	112128
Number of reflections	217024
<I/σ(I)>	5.9	11.3	1.4
Completeness [%]	99.5	96.1	100
Redundancy	3.6	3.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (34.4 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM L-Malate); Reservoir (0.1 M Bis-Tris Propane pH 7, 2 M di-Ammonium Hydrogen Citrate); Cryoprotection (Reservoir with 20% Glycerol), VAPOR DIFFUSION, SITTING DROP, temperature 298K