1NM8

Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer

Experimental procedure

Experimental method	MAD
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	137.500, 84.500, 57.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.600
Rwork	0.208
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.005 *
RMSD bond angle	0.005
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.600
Rmerge	0.043	0.404 *
Total number of observations	724938 *
Number of reflections	80622 *
Completeness [%]	90.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	295	Lian, W., (2002) Acta Crystallogr., D58, 1193. *
1	VAPOR DIFFUSION, HANGING DROP	6.2	295	Lian, W., (2002) Acta Crystallogr., D58, 1193. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	20 (mg/ml)
2	1	reservoir	Bis-Tris	50 (mM)	pH6.2
3	1	reservoir		100 (mM)
4	1	reservoir	PEG8000	12-15 (%)