4OVS

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFUROSPIRILLUM DELEYIANUM DSM 6946 (Sdel_0447), TARGET EFI-510309, 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	2013-11-26
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	83.637, 49.146, 96.030
Unit cell angles	90.00, 109.33, 90.00

Refinement procedure

Resolution	41.565 - 1.800
R-factor	0.1856
Rwork	0.183
R-free	0.23520
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.363
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.617	90.617	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.044	0.928
Rmeas	0.098	0.069	1.207
Rpim	0.037	0.025	0.621
Total number of observations	356000	15927	12689
Number of reflections	56917
<I/σ(I)>	13.2	31.6	1.2
Completeness [%]	82.9	99.1	36.7
Redundancy	6.3	7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (29.4 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM SUCCINATE); Reservoir (0.2 M Potassium Sodium Tartrate, 20 %(w/v) PEG 3350); Cryoprotection (20% glycerol)