3UGH

Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 6-kestose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	88.291, 123.894, 146.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.710 - 2.900
R-factor	0.1991
Rwork	0.197
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.129
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.950
High resolution limit [Å]	2.900	7.830	2.900
Rmerge	0.186	0.073	0.566
Number of reflections	36780
<I/σ(I)>	6.1
Completeness [%]	100.0	100	100
Redundancy	6.7	6.2	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	0.1M citrate, 0.7M ammonium sulfate, 1M Li-sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K