1R3V

Uroporphyrinogen Decarboxylase single mutant D86E in complex with coproporphyrinogen-I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-06-15
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	103.111, 103.111, 73.313
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.15203
Rwork	0.151
R-free	0.18700 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1uro
RMSD bond length	0.017
RMSD bond angle	1.630
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.134	0.399
Total number of observations	218142 *
Number of reflections	35021
<I/σ(I)>	9	2.5
Completeness [%]	98.2 *	95.2 *
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	21 *	Phillips, J.D., (1997) Protein Sci., 6, 1343. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	Tris	50 (mM)	pH7.5
3	1	drop	glycerol	10 (%)
4	1	drop	beta-mercaptoethanol	1 (mM)
5	1	reservoir	MPD	16 (%)
6	1	reservoir	MES	0.1	pH6.0