1EC8

E. COLI GLUCARATE DEHYDRATASE BOUND TO PRODUCT 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	110
Detector technology	CCD
Collection date	1998-02-11
Detector	OTHER
Spacegroup name	P 1
Unit cell lengths	71.090, 84.606, 98.858
Unit cell angles	103.42, 93.99, 113.06

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.196
Rwork	0.196
RMSD bond length	0.016 *
RMSD bond angle	2.070 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	1.900 *	1.900
Rmerge	0.055 *	0.182 *
Total number of observations	675032 *
Number of reflections	152351 *
<I/σ(I)>	7.2
Completeness [%]	96.2 *	93.3
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8	277	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG5000 ME	14 (%)
2	1	1		75 (mM)
3	1	1	2-propanol	5 (%)
4	1	1	HEPPES	50 (mM)