4PF8

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1 (TARGET EFI-510299) WITH BOUND BETA-D-GALACTURONATE

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	2014-04-02
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	57.979, 58.014, 62.968
Unit cell angles	115.62, 104.69, 94.16

Refinement procedure

Resolution	27.923 - 1.500
R-factor	0.1482
Rwork	0.147
R-free	0.16500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ovq
RMSD bond length	0.011
RMSD bond angle	1.299
Data scaling software	Aimless
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.850	53.850	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.095	0.093	0.698
Rpim	0.056	0.060	0.406
Total number of observations	414615	1583	20449
Number of reflections	106185
<I/σ(I)>	10.9	22.8	2.3
Completeness [%]	94.8	71.2	93.6
Redundancy	3.9	3.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (31.8 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-Galacturonate); Reservoir (2.4 M Sodium Malonate pH 7.0); Cryoprotection (80% Reservoir + 20% Diethylene Glycol