3CZK

Crystal Structure Analysis of Sucrose hydrolase(SUH) E322Q-sucrose complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-23
Detector	ADSC QUANTUM 210
Wavelength(s)	1.2399
Spacegroup name	P 21 21 2
Unit cell lengths	96.500, 118.600, 55.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
Rwork	0.200
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cze
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.074	0.040	0.382
Number of reflections	33073
<I/σ(I)>	9.6
Completeness [%]	99.2	98.8	94.7
Redundancy	5	4.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1M HEPES, 0.2M calcium acetate, 16% PEG 3000, 5mM DTT, 0.1M cesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K