4PC9

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSENBACTER DENITRIFICANS OCh 114 (RD1_1052, TARGET EFI-510238) WITH BOUND D-MANNONATE

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	52.365, 73.339, 75.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.875 - 1.300
R-factor	0.1356
Rwork	0.135
R-free	0.14840
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.213
Data reduction software	MOSFLM
Data scaling software	Aimless
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.750	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.117	0.918
Number of reflections	72237
<I/σ(I)>	17.8	4.1
Completeness [%]	99.7	99.3
Redundancy	14.1	13.6

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)