1GMW

Structure of UreE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Spacegroup name	P 1 21 1
Unit cell lengths	43.756, 129.905, 56.419
Unit cell angles	90.00, 91.21, 90.00

Refinement procedure

Resolution	17.000 - 2.500 *
R-factor	0.223
Rwork	0.223
R-free	0.29500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.360 *
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000
High resolution limit [Å]	2.500	2.500 *
Rmerge	0.048	0.088 *
Total number of observations	198257 *
Number of reflections	20709
Completeness [%]	97.5	99.2 *
Redundancy	19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	22 *	pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)	pH7.5
2	1	drop	imidazole	20 (mM)
3	1	drop	EDTA	2 (mM)
4	1	drop	dithiothreitol	2 (mM)
5	1	drop	protein	15 (mg/ml)
6	1	reservoir	sodium cacodylate	100 (mM)	pH6.5
7	1	reservoir	PEG8000	18-19 (%(w/v))
8	1	reservoir	calcium acetate	200 (mM)