4PCD

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS OCh 114 (RD1_1052, TARGET EFI-510238) WITH BOUND L-GALACTONATE

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 21 21 21
Unit cell lengths	52.375, 73.260, 75.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.607 - 1.700
R-factor	0.1376
Rwork	0.135
R-free	0.17910
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.186
Data reduction software	MOSFLM
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]	75.890	75.890	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.135	0.085	0.726
Rpim	0.041	0.034	0.218
Total number of observations	383228	1288	20359
Number of reflections	32764
<I/σ(I)>	16	20.2	5.1
Completeness [%]	99.8	73.8	99.9
Redundancy	11.7	6.3	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (42.4 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-MANNONATE); Reservoir (0.1 M Tris pH 8.5, 2.4 M di-Ammonium Phosphate); Cryoprotection (80% Reservoir + 20% diethylene glycol)