1MR2

Structure of the MT-ADPRase in complex with 1 Mn2+ ion and AMP-CP (a inhibitor), a nudix enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2002-01-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	63.894, 63.894, 182.059
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.300
Rwork	0.205
R-free	0.26000 *
Structure solution method	MIR
RMSD bond length	0.011
RMSD bond angle	1.410 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.120 *
Total number of observations	165208 *
Number of reflections	10273
<I/σ(I)>	11.4	5.2
Completeness [%]	97.8	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Sodium formate, Tris HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.5
3	1	drop	EDTA	1 (mM)
4	1	reservoir	sodium formate	4.3 (M)
5	1	reservoir	Tris	100 (mM)	pH8.0