3S28

The crystal structure of sucrose synthase-1 in complex with a breakdown product of the UDP-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	276.750, 261.880, 160.190
Unit cell angles	90.00, 108.70, 90.00

Refinement procedure

Resolution	24.976 - 2.800
R-factor	0.1903
Rwork	0.188
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s27
RMSD bond length	0.010
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	SCALA (3.3.15)
Phasing software	PHENIX (1.7_650)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	185.269	50.058	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.035	0.615
Number of reflections	263585
<I/σ(I)>	9.1	13.3	1.3
Completeness [%]	99.7	97.4	100
Redundancy	3	2.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	293	1.85-1.90 M AMMONIUM SULFATE, 80-100 MM SODIUM CITRATE pH 6.1, 0.15 M SODIUM POTASSIUM TARTRATE, 150 mM SUCROSE, 5 mM URIDINE DIPHOSPHATE GLUCOSE, vapor diffusion, sitting drop, temperature 293K