4P3L

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CHROMOHALOBACTER SALEXIGENS DSM 3043 (Csal_2479), TARGET EFI-510085, WITH BOUND GLUCURONATE, SPG P6122

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	2014-03-01
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 61 2 2
Unit cell lengths	160.657, 160.657, 58.117
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.086 - 1.800
R-factor	0.1437
Rwork	0.142
R-free	0.16690
RMSD bond length	0.010
RMSD bond angle	1.224
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.330	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.123	0.793
Rpim	0.046	0.344
Total number of observations	307566	14421
Number of reflections	40251
<I/σ(I)>	12.3	2.4
Completeness [%]	97.8	99.8
Redundancy	7.6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	298	Protein (35.6 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM Glucuronate); Reservoir (0.2 M Sodium chloride, 0.1 M Phosphate-citrate, pH 4.2, 20 %(w/v) PEG 8000); Cryoprotection (20% glycerol, 80% reservoir)