3UGG

Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 1-kestose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-23
Detector	MAR CCD 165 mm
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	88.420, 123.800, 146.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.490 - 2.900
R-factor	0.1975
Rwork	0.196
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.136
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.287	32.620	3.060
High resolution limit [Å]	2.900	9.170	2.900
Rmerge		0.063	0.446
Total number of observations		7659	36734
Number of reflections	36295
<I/σ(I)>	12.3	9.3	1.6
Completeness [%]	99.9	96.9	100
Redundancy	7.2	6.2	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