1JG3

Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine & VYP(ISP)HA substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	118
Detector technology	IMAGE PLATE
Collection date	2001-01-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	91.573, 91.573, 124.547
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	500.000 - 2.100
R-factor	0.211
Rwork	0.204
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	2.070
High resolution limit [Å]	2.100	2.000
Rmerge	0.106	0.435
Total number of observations	235211 *
Number of reflections	39722
Completeness [%]	99.6	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5	22 *	50% MPD, 100mM Tris-HCl, 200mM ammonium phosphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop		0.5 (M)
3	1	drop	HEPES	20 (mM)
4	1	reservoir	MPD	50 (%(v/v))
5	1	reservoir	Tris-HCl	100 (mM)
6	1	reservoir	ammonium phosphate	200 (mM)