1KR5

Crystal structure of human L-isoaspartyl methyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	118
Detector technology	CCD
Collection date	2001-03-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	P 1 21 1
Unit cell lengths	48.007, 53.698, 49.003
Unit cell angles	90.00, 115.60, 90.00

Refinement procedure

Resolution	44.190 - 2.100
R-factor	0.221 *
Rwork	0.221
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jg1
RMSD bond length	0.007
RMSD bond angle	23.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.200 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.074	0.256
Total number of observations	47131 *
Number of reflections	12501
Completeness [%]	94.7	75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	293	PEG 8000, Magnesium acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		0.2 (M)
2	1	1	cacodylate	0.1 (M)	pH6.5
3	1	1	PEG8000	20 (%)