1E9Z

Crystal structure of Helicobacter pylori urease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE M18X
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MACSCIENCE
Spacegroup name	I 2 3
Unit cell lengths	177.910, 177.910, 177.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.800 *
R-factor	0.206 *
Rwork	0.212
R-free	0.28700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1KAU
RMSD bond length	0.008
RMSD bond angle	1.260
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.800 *
Rmerge	0.114 *	0.317 *
Total number of observations	393095 *
Number of reflections	23292 *
<I/σ(I)>	5.7
Completeness [%]	89.1 *	75.8 *
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	12 *	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	MES	0.1 (M)
3	1	reservoir	Jeffamine-M600	25 (%(v/v))