4PE3

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3620, TARGET EFI-510199), APO OPEN STRUCTURE

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	2014-04-09
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	79.072, 97.938, 35.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.609 - 1.350
R-factor	0.1706
Rwork	0.169
R-free	0.19600
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.302
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]	26.360	26.360	1.370
High resolution limit [Å]	1.350	7.390	1.350
Rmerge	0.120	0.092	0.917
Rpim	0.033	0.028	0.247
Total number of observations	878379	4478	41986
Number of reflections	61112
<I/σ(I)>	14.1	27	3.2
Completeness [%]	98.8	90.6	97.5
Redundancy	14.4	11.1	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein (34.6 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 1 mM D-Glycerate); Reservoir (0.2 M Zinc Acetate, 0.1 M Imidazole pH 6.5, 10%(w/v) PEG 8000); Cryoprotection (80% Reservoir, 20% Ethylene glycol)