1UQR

Type II 3-dehydroquinate dehydratase (DHQase) from Actinobacillus pleuropneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	129.095, 131.333, 161.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.710 *
R-factor	0.178
Rwork	0.178
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006 *
RMSD bond angle	1.300 *
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.800
High resolution limit [Å]	1.710	1.710
Rmerge	0.033 *	0.309 *
Number of reflections	210933 *	27619 *
<I/σ(I)>	28	7.3
Completeness [%]	71.5 *	66.2 *
Redundancy	1.64 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	gel-acupuncture method *	7.4		pH 7.40

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	20 (mg/ml)
2	1	1	Tris-HCl	100 (mM)	pH7.4
3	1	2	ammonium sulfate	3.5 (M)
4	1	2	Tris-HCl	100 (mM)	pH7.4
5	1	2	sodium azide	0.03 (%(w/v))