1DXF

2-dehydro-3-deoxy-galactarate aldolase from Escherichia coli in complex with pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	126.400, 126.400, 172.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.173
Rwork	0.173
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	22.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.600
Rmerge	0.059	0.167 *
Total number of observations	232660 *
Number of reflections	16162 *
<I/σ(I)>	14.2
Completeness [%]	93.4	72.7 *
Redundancy	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5		Blackwell, N.C., (1999) Acta Crystallogr., D55, 1368. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium phosphate	20 (mM)
2	1	drop	magnesium sulfate	5 (mM)
3	1	drop	enzyme	7 (mg/ml)
4	1	reservoir	PEG3000	4 (%)
5	1	reservoir	potassium phosphate	0.2 (M)