2UBP

STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-06-03
Detector	MARRESEARCH
Spacegroup name	P 63 2 2
Unit cell lengths	131.357, 131.357, 189.756
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.162 *
Rwork	0.160
R-free	0.20400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubp
RMSD bond length	0.013
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.076	0.590
Total number of observations	836977 *
Number of reflections	63765 *
<I/σ(I)>	16.5	2.2
Completeness [%]	98.7	97.8
Redundancy	10.22	3.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	20 *	53% SATURATED AMMONIUM SULPHATE, 1.2 M LICL, 20 MM SODIUM CITRATE PH 6.3. SEE ACTA (1998) D54 409-412

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	BPU	11 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		50 (mM)
4	1	reservoir	ammonium sulfate	53 (%sat)
5	1	reservoir		1.2 (M)
6	1	reservoir	sodium citrate	20 (mM)