1NDB

Crystal structure of Carnitine Acetyltransferase

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	2002-08-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790
Spacegroup name	C 1 2 1
Unit cell lengths	158.884, 89.654, 119.436
Unit cell angles	90.00, 127.46, 90.00

Refinement procedure

Resolution	30.000 * - 1.800
R-factor	0.1921
Rwork	0.192
R-free	0.21700 *
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	21.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.044 *	0.120 *
Total number of observations	749015 *
Number of reflections	235313
Completeness [%]	97.0	94 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	4 *	100mM TRIS, 20% PEG 3350, pH 7.5, 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)	pH7.5
2	1	reservoir	PEG3350	20 (%(w/v))
3	1	drop	protein	20 (mg/ml)