1NDF

Carnitine Acetyltransferase in Complex with Carnitine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790
Spacegroup name	C 1 2 1
Unit cell lengths	160.680, 91.670, 122.610
Unit cell angles	90.00, 128.84, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.2001
Rwork	0.200
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ndb
RMSD bond length	0.006
RMSD bond angle	21.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.057 *	0.174 *
Total number of observations	347562 *
Number of reflections	105409
Completeness [%]	97.0 *	92.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	4 *	100mM TRIS, 12%PEG 3350,1mM Carnitine, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	100 (mM)	pH8.0
2	1	reservoir	PEG3350	12 (%(w/v))
3	1	drop	protein	16 (mg/ml)
4	1	drop	carnitine	0.6 (mM)