2X6Q

Crystal structure of trehalose synthase TreT from P.horikoshi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	297
Collection date	2005-12-01
Spacegroup name	P 1 21 1
Unit cell lengths	80.788, 63.655, 90.651
Unit cell angles	90.00, 99.41, 90.00

Refinement procedure

Resolution	29.990 - 2.200
R-factor	0.227
Rwork	0.227
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.990	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.340
Number of reflections	41687
<I/σ(I)>	16.4	3.95
Completeness [%]	90.5	80.9
Redundancy	3.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				PEG 3350 25%, 0.2M MGCL2, 0.1M SODIUM HEPES BUFFER