1R18

Drosophila protein isoaspartyl methyltransferase with S-adenosyl-L-homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2002-04-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	72.070, 45.250, 61.240
Unit cell angles	90.00, 102.90, 90.00

Refinement procedure

Resolution	40.000 * - 2.200
R-factor	0.194
Rwork	0.194
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Human PIMT (pdb code 1I1N)
RMSD bond length	0.005
RMSD bond angle	1.320 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.088	0.232
Total number of observations	14628 *
Number of reflections	8636	761 *
<I/σ(I)>	11.4
Completeness [%]	89.0	79.6
Redundancy	1.7	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	4 *	100mM Tris, 35% v/v Ethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	ethanol	35 (%)
3	1	reservoir	Tris-HCl	100 (mM)	pH7.5