1DXE

2-dehydro-3-deoxy-galactarate aldolase from Escherichia coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Wavelength(s)	0.8855, 0.9783, 0.9785
Spacegroup name	H 3 2
Unit cell lengths	129.070, 129.070, 167.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.171
Rwork	0.171
R-free	0.19400
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	23.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.9)
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.820
Rmerge	0.049	0.336 *
Total number of observations	1386204 *
Number of reflections	47695 *
<I/σ(I)>	83.3
Completeness [%]	99.7	99.4 *
Redundancy	29.1

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)