3S29

The crystal structure of sucrose synthase-1 from Arabidopsis thaliana and its functional implications.

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	277.160, 261.500, 161.100
Unit cell angles	90.00, 109.27, 90.00

Refinement procedure

Resolution	24.964 - 2.850
R-factor	0.1869
Rwork	0.185
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s27
RMSD bond length	0.011
RMSD bond angle	1.079
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX (1.7_650)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.596	49.596	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge		0.025	0.681
Total number of observations		19165	94390
Number of reflections	249743
<I/σ(I)>	7.6	21.8	1.1
Completeness [%]	99.4	97.1	99.5
Redundancy	2.6	2.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	293	1.85-1.90 M AMMONIUM SULFATE, 80-100 MM SODIUM CITRATE pH 5.8, 0.15 M SODIUM POTASSIUM TARTRATE, 20 mM FRUCTOSE, 5 mM URIDINE DIPHOSPHATE, vapor diffusion, sitting drop, temperature 293K