1EAR

Crystal structure of Bacillus pasteurii UreE at 1.7 A. Type II crystal form.

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	2001-05-15
Detector	MAR scanner 345 mm plate
Spacegroup name	I 2 2 2
Unit cell lengths	44.320, 63.510, 129.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.850 - 1.700
R-factor	0.2126
Rwork	0.213
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB IDCODE 1EB0
RMSD bond length	0.006
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.058	0.281
Total number of observations	292340 *
Number of reflections	20619
<I/σ(I)>	32.6	3.63
Completeness [%]	99.0	96.8
Redundancy	6.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	294	92-96 % NACITRATE, 100MM TRIS PH 7, 294 K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.5
3	1	drop		100 (mM)
4	1	reservoir	citrate	86-92 (%)
5	1	reservoir	Tris-HCl	100 (mM)	pH7.