1J93

Crystal Structure and Substrate Binding Modeling of the Uroporphyrinogen-III Decarboxylase from Nicotiana tabacum: Implications for the Catalytic Mechanism

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
Detector technology	CCD
Collection date	1999-03-02
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	P 6 2 2
Unit cell lengths	158.440, 158.440, 67.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.000 - 2.300
R-factor	0.209 *
Rwork	0.209
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uro
RMSD bond length	0.007
RMSD bond angle	1.225
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	18.000
High resolution limit [Å]	2.300	2.300
Rmerge	0.060 *	0.346 *
Total number of observations	257709 *
Number of reflections	22173
<I/σ(I)>	26.1	4.3
Completeness [%]	97.7	98.3
Redundancy	2.14	3.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	22 *	ammonium sulfate, pH 9.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2-3 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	reservoir	ammonium sulfate	1.2 (M)