1EUN

STRUCTURE OF 2-KETO-3-DEOXY-6-PHOSPHOGLUCONATE ALDOLASE FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	180
Detector technology	CCD
Collection date	1999-10-04
Detector	ADSC QUANTUM 4r
Spacegroup name	P 21 21 21
Unit cell lengths	54.950, 85.210, 133.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.490 - 2.000
R-factor	0.202
Rwork	0.202
R-free	0.25900
RMSD bond length	0.006
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.130
High resolution limit [Å]	2.000 *	2.000
Rmerge	0.075 *	0.269
Number of reflections	39315 *
<I/σ(I)>	20
Completeness [%]	94.8 *	79.4
Redundancy	4.66	4.38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	320	PEG 3350, Ammonium sulfate, Sodium Acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 320K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	Tris-HCl	10 (mM)
3	1	reservoir	PEG3500	18.5 (%)
4	1	reservoir	ammonium sulfate	0.2 (M)
5	1	reservoir	sodium acetate	0.1 (M)