2OXB

Crystal structure of a cell-wall invertase (E203Q) from Arabidopsis thaliana in complex with sucrose

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	2005-10-26
Detector	MAR CCD 165 mm
Spacegroup name	P 32
Unit cell lengths	106.454, 106.454, 50.548
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.510 - 2.600
R-factor	0.205
Rwork	0.205
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ac1
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge		0.462
Number of reflections	18370
<I/σ(I)>		2.29
Completeness [%]	99.7	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	25% PEG 4000, 0.1M zinc acetate, 0.1M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K