4PFB

Crystal structure of a TRAP periplasmic solute binding protein from Fusobacterium nucleatun (FN1258, TARGET EFI-510120) with bound SN-glycerol-3-phosphate

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	2013-12-06
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 43 2 2
Unit cell lengths	113.574, 113.574, 79.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.154 - 2.700
R-factor	0.1663
Rwork	0.164
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n6k
RMSD bond length	0.012
RMSD bond angle	1.094
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	113.574	46.295	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.059	0.854
Rmeas	0.173
Rpim	0.050	0.020	0.254
Total number of observations	175821	5047	25682
Number of reflections	14902
<I/σ(I)>	10.4	18.2	3.1
Completeness [%]	99.9	96.4	100
Redundancy	11.8	9.6	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein (70.0 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM Glycerol 3-phosphate); Reservoir (0.2 M Zinc Acetate, 0.1 M Imidazole pH 6.5, 10 %(w/v) PEG 8000); Cryoprotection (80% Reservoir + 20% Glycerol