5TDE

TEV Cleaved Human ATP Citrate Lyase Bound to Citrate

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	2016-03-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	55.828, 84.084, 194.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.390 - 1.700
R-factor	0.1566
Rwork	0.155
R-free	0.18420
RMSD bond length	0.010
RMSD bond angle	0.968
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	51.390
High resolution limit [Å]	1.700
Number of reflections	100886
<I/σ(I)>	10
Completeness [%]	99.4
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	12.5% P3350, 100 mM Tris-HCL pH 7.0, 125 mM ammonium phosphate pH 7.5