2FW3

Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-05
Detector	MARRESEARCH
Wavelength(s)	1.008
Spacegroup name	P 21 21 21
Unit cell lengths	85.800, 96.200, 124.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.24412
Rwork	0.241
R-free	0.29647
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.502
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.030	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.134	0.310
Number of reflections	33845
<I/σ(I)>	11.71	4.19
Completeness [%]		91.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		294	25% (v/v) PEG 1500, microbatch, temperature 294K