4P1E

Crystal structure of a trap periplasmic solute binding protein from escherichia fergusonii (efer_1530), target EFI-510119, apo open structure, phased with iodide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-02-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	67.820, 67.820, 156.351
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.983 - 1.900
R-factor	0.1984
Rwork	0.196
R-free	0.23880
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.358
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]	58.734	46.958	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.031	0.577
Rmeas	0.176
Rpim	0.048	0.025	0.249
Total number of observations	412915	15422	27505
Number of reflections	32768
<I/σ(I)>	14	31.6	2.8
Completeness [%]	97.3	99.8	83.6
Redundancy	12.6	12.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (34.8 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (60 %(v/v) Tacsimate pH 7.0); Soak (Three minutes in 1 M NaI + Reservoir); Cryoprotection (20% glycerol + Reservoir