1EJR

CRYSTAL STRUCTURE OF THE D221A VARIANT OF KLEBSIELLA AEROGENES UREASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	I 21 3
Unit cell lengths	170.600, 170.600, 170.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.161 *
Rwork	0.161
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.000	2.000
Rmerge	0.090 *	0.580 *
Number of reflections	55503
Completeness [%]	100.0	100
Redundancy	10.8	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	25 *	Jabri, E., (1992) J.Mol.Biol., 227, 934. *
1	VAPOR DIFFUSION, HANGING DROP	7 *	25 *	Jabri, E., (1992) J.Mol.Biol., 227, 934. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	urease	5 (mg/ml)
2	1	drop	Tris	10 (mM)
3	1	drop	EDTA	0.5 (mM)
4	1	drop	beta-mercaptoethanol	0.5 (mM)
5	1	drop		0.75-0.85 (M)
6	1	drop	HEPES	50 (mM)
7	1	reservoir		1.5-1.7 (M)
8	1	reservoir	HEPES	100 (mM)