1E9Y

Crystal structure of Helicobacter pylori urease in complex with acetohydroxamic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	I 2 3
Unit cell lengths	178.160, 178.160, 178.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.800 *
R-factor	0.213
Rwork	0.213
R-free	0.27900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.270
Data reduction software	DPS
Data scaling software	SCALA
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.800 *
Rmerge	0.079 *	0.323 *
Total number of observations	330949 *
Number of reflections	23322 *
Completeness [%]	100.0	100 *
Redundancy	14

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))