1FWE

KLEBSIELLA AEROGENES UREASE, C319A VARIANT WITH ACETOHYDROXAMIC ACID (AHA) BOUND

Experimental procedure

Detector technology	AREA DETECTOR
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	I 21 3
Unit cell lengths	170.800, 170.800, 170.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.204
Rwork	0.204
RMSD bond length	0.007
RMSD bond angle	1.514
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]		2.000 *
Rmerge	0.097	0.395 *
Number of reflections	52075
Completeness [%]	96.0	67 *
Redundancy	2.3	1.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
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)