3LA4

Crystal structure of the first plant urease from Jack bean (Canavalia ensiformis)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-25
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 63 2 2
Unit cell lengths	138.565, 138.565, 198.355
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.050
Rwork	0.183
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1E9Z (Homology model of Jack bean urease derived from H.pylori urease)
Data reduction software	AUTOMAR
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.180
High resolution limit [Å]	2.050	2.050
Rmerge	0.112	0.327
Number of reflections	145620
<I/σ(I)>	4.3	1.2
Completeness [%]	99.9	99.5
Redundancy	16.8	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	294	1.6M ammonium phosphate dibasic, 100mM Tris pH 8.8, 10% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 294K