4PFR

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3541, TARGET EFI-510203), APO OPEN PARTIALLY DISORDERED

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	2014-02-24
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 31 2 1
Unit cell lengths	94.981, 94.981, 203.414
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.320 - 2.600
R-factor	0.2181
Rwork	0.216
R-free	0.25920
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.126
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]	203.410	203.410	2.720
High resolution limit [Å]	2.600	9.010	2.600
Rmerge	0.084	0.054	0.652
Rpim	0.037	0.027	0.290
Total number of observations	195951	3868	24034
Number of reflections	33491
<I/σ(I)>	16.4	37.4	2.4
Completeness [%]	99.8	94.1	99.9
Redundancy	5.9	4.5	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (35.6 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 1 mM L-Gulonate); Reservoir (0.1 M Bis-Tris Propane pH 7, 60 %(v/v) tacsimate); Cryoprotection (80% Reservoir + 20% Glycerol)