4OVQ

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS, TARGET EFI-510230, WITH BOUND BETA-D-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	2013-11-26
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	H 3
Unit cell lengths	78.209, 78.209, 134.424
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.148 - 1.501
R-factor	0.1809
Rwork	0.179
R-free	0.21070
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.325
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.073	0.042
Total number of observations	563849
Number of reflections	48974
<I/σ(I)>	9.3
Completeness [%]	99.9	98.3	100
Redundancy	11.5	11.3	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (33.12 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 1 mM D-Glucuronate); Reservoir (0.2M Calcium Acetate 0.1 M Tris pH 7.0 20 %(w/v) PEG 3000); Cryoprotection (20% glycerol, 80% Reservoir)