4X8R

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM Rhodobacter sphaeroides (Rsph17029_2138, TARGET EFI-510205) WITH BOUND Glucuronate

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	2014-11-12
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 42 21 2
Unit cell lengths	116.800, 116.800, 111.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.434 - 1.900
R-factor	0.1587
Rwork	0.157
R-free	0.20130
RMSD bond length	0.011
RMSD bond angle	1.264
Data reduction software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.141	0.056
Total number of observations	1314798
Number of reflections	84879
<I/σ(I)>	5.5
Completeness [%]	99.1	99.2	83.3
Redundancy	15.5	15.5	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	Protein (30.12 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-Glucuronate); Reservoir (MCSG 1, F7, 0.1 M Sodium/Potassium phosphate pH 5.6