4Q7I

Crystal structure of engineered thermostable D-tagatose 3-epimerase PcDTE-Var8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	110.470, 47.500, 124.730
Unit cell angles	90.00, 103.68, 90.00

Refinement procedure

Resolution	53.730 - 1.800
R-factor	0.17809
Rwork	0.176
R-free	0.20781
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qul
RMSD bond length	0.013
RMSD bond angle	1.484
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.3)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.730	53.670	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.057	0.059	0.378
Number of reflections	58427
<I/σ(I)>	11.2	24.3	3.1
Completeness [%]	99.6	99.6	99.6
Redundancy	3.1	3.3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	293	0.1M Tris, 18% w/v PEG 8000, 0.2M lithium sulfate, pH 7.7, vapor diffusion, sitting drop, temperature 293K