4XFE

Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound 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	2014-10-13
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	130.001, 35.054, 60.833
Unit cell angles	90.00, 99.54, 90.00

Refinement procedure

Resolution	26.503 - 1.400
R-factor	0.1577
Rwork	0.156
R-free	0.18620
RMSD bond length	0.010
RMSD bond angle	1.361
Data scaling software	Aimless (0.1.27)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.990	59.990	1.430
High resolution limit [Å]	1.400	7.410	1.400
Rmerge	0.123	0.088	0.780
Rpim	0.060	0.052	0.381
Total number of observations	266420	1000	13874
Number of reflections	53215
<I/σ(I)>	9.2	16.6	2.3
Completeness [%]	99.2	71.7	99.9
Redundancy	5	3.5	5
CC(1/2)	0.995	0.980	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (60.0 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-glucuronate); Reservoir (MCSG2(D3), 0.2M Lithium Sulfate, 0.1 M CAPS pH 10.5, 2.0 M Ammonium Sulfate); Cryoprotection (80% Reservoir, 20% glycerol)