5VTG

The structure of TamB963-1138 from Escherichia coli reveals a novel hydrophobic Beta-taco fold

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	57.240, 57.240, 220.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.571 - 1.859
R-factor	0.21
Rwork	0.208
R-free	0.25070
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.317
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.570	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.083	2.887
Rpim	0.041	1.324
Number of reflections	35019	2208
<I/σ(I)>	11.3	0.6
Completeness [%]	94.5	99.2
Redundancy	9.2	6.8
CC(1/2)	0.998	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.1 M HEPES, 15%(v/v) PEG 400, 0.2 M CaCl2