6GNG

Granule Bound Starch Synthase I from Cyanophora paradoxa bound to acarbose and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-14
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	69.300, 106.100, 175.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.950
R-factor	0.27344
Rwork	0.272
R-free	0.30293
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vue 2qzs
RMSD bond length	0.009
RMSD bond angle	1.464
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	3.000
High resolution limit [Å]	2.900	2.900
Rmeas	0.371	2.490
Number of reflections	26755	2584
<I/σ(I)>	4.59	0.72
Completeness [%]	90.8	92.6
Redundancy	3.5	3.4
CC(1/2)	0.968	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	288	40 mM citric acid, 60 mM bis-tris propane pH 6.4 and 20% PEG 3350, 0.025 M chromium chloride, acarbose, ADP