4PGP

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO ALASKENSIS G20 (Dde_0634, TARGET EFI-510120) WITH BOUND 3-INDOLE ACETIC ACID

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	2014-03-21
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	50.286, 145.536, 97.919
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	35.742 - 2.250
R-factor	0.2054
Rwork	0.202
R-free	0.26180
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.014
RMSD bond angle	1.438
Data scaling software	Aimless (0.1.27)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.460	43.460	2.310
High resolution limit [Å]	2.250	10.310	2.250
Rmerge	0.153	0.043	1.030
Rpim	0.099	0.028	0.675
Total number of observations	190054	1814	13031
Number of reflections	61615
<I/σ(I)>	3.3	7.8	1
Completeness [%]	92.5	79.7	92
Redundancy	3.1	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	Protein (68.0 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM 3-INDOLE ACETIC ACID); Reservoir (0.2 M di-Ammonium Hydrogen Citrate pH 5.0, 20 %(w/v) PEG 3350); Cryoprotection (80% Reservoir + 20% Ethylene Glycol)