2QQU

Crystal structure of a cell-wall invertase (D239A) from Arabidopsis thaliana in complex with sucrose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-22
Detector	MAR CCD 165 mm
Wavelength(s)	0.8073
Spacegroup name	P 32
Unit cell lengths	106.271, 106.271, 50.434
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.660 - 2.840
R-factor	0.19653
Rwork	0.194
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ac1
RMSD bond length	0.008
RMSD bond angle	1.272
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.840	2.840
Number of reflections	13798
Completeness [%]	99.0	99.4
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M sodium cacodylate, 0.1 zinc acetate, 20% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K