4NHB

Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	53.090, 83.407, 65.043
Unit cell angles	90.00, 91.83, 90.00

Refinement procedure

Resolution	25.637 - 1.902
R-factor	0.1886
Rwork	0.185
R-free	0.24760
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.378
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000 (SHELX)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.061	0.020	0.585
Number of reflections	44391
<I/σ(I)>	11
Completeness [%]	99.9	98.6	99.6
Redundancy	5.9	5.9	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	33.8 mg/mL protein in 10 mM HEPES, pH 7.5, 5 mM DTT, reservoir: 0.2 M magnesium chloride, 0.1 M Tris, pH 8.5, 30% w/v PEG4000, cryoprotection: 4:1 50% PEG3350, 500 mM NaI:reservoir (3 minutes), VAPOR DIFFUSION, SITTING DROP, temperature 298K