5TDM

TEV Cleaved Human ATP Citrate Lyase Bound to 4R-Hydroxycitrate and ADP

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	2016-04-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	55.379, 84.814, 193.869
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.770 - 2.100
R-factor	0.219
Rwork	0.216
R-free	0.28600
RMSD bond length	0.013
RMSD bond angle	1.155
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	63.770
High resolution limit [Å]	2.100
Number of reflections	53911
<I/σ(I)>	8.3
Completeness [%]	99.7
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	13% P3350, 100 mM TrisHCl pH 8.7, 125 mM ammonium chloride