3PFF

Truncated human atp-citrate lyase with ADP and tartrate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	167.540, 61.700, 107.980
Unit cell angles	90.00, 125.47, 90.00

Refinement procedure

Resolution	43.970 - 2.300
R-factor	0.1713
Rwork	0.168
R-free	0.22750
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB ENTRIES: 3MWD 3mwe
RMSD bond length	0.007
RMSD bond angle	1.063
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.970	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.084	0.441
Number of reflections	39343
<I/σ(I)>	11.7	2.9
Completeness [%]	97.9	92.8
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	12.5% polyethylene glycol 3350, 125 mM sodium tartrate, 100 mM Tris-HCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 294K