4X04

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CITROBACTER KOSERI (CKO_04899, TARGET EFI-510094) WITH BOUND D-glucuronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-11-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54056
Spacegroup name	P 41 21 2
Unit cell lengths	175.000, 175.000, 125.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.730 - 2.500
R-factor	0.1564
Rwork	0.154
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n8y
RMSD bond length	0.008
RMSD bond angle	1.109
Data reduction software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.102	0.052	0.401
Total number of observations	803840
Number of reflections	94018
<I/σ(I)>	9.2
Completeness [%]	99.8	99	99.5
Redundancy	11.9	13.1	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (43.2 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 5% Glycerol, 10 mM D-glucuronate); Reservoir (0.2 M Magnesium Chloride, 20 %(w/v) PEG 3350, 0.1M Tris pH 8.5); Cryoprotection (80%(50%) PEG 3350,20% Reservoir)