6GNE

Catalytic domain of Starch Synthase IV from Arabidopsis thaliana bound to ADP and acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	129.760, 166.940, 47.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.870 - 2.550
R-factor	0.18347
Rwork	0.182
R-free	0.22609
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qzs
RMSD bond length	0.012
RMSD bond angle	1.555
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	2.700
High resolution limit [Å]	2.550	2.550
Rmeas	0.134	0.871
Number of reflections	32689	4558
<I/σ(I)>	11.93
Completeness [%]	93.6	84.5
Redundancy	6.1	2.8
CC(1/2)	0.996	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	0.2 M Li2SO4, 0.1 M Bis-tris pH 5.5, 25% PEG3350, ZnCl2, ADP, acarbose