1UBP

CRYSTAL STRUCTURE OF UREASE FROM BACILLUS PASTEURII INHIBITED WITH BETA-MERCAPTOETHANOL AT 1.65 ANGSTROMS RESOLUTION

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	131.343, 131.343, 190.013
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.000 - 1.650
R-factor	0.158
Rwork	0.158
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1KAU
RMSD bond length	0.008
RMSD bond angle	0.023
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	1172081 *
Number of reflections	114679
<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 *	6.3	20 *	pH 6.30

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	11 (mg/ml)
2	1	drop	sodium citrate	20 (mM)