5TDF

TEV Cleaved Human ATP Citrate Lyase Bound to 4S hydroxycitrate

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	2016-04-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	55.050, 83.870, 195.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.940 - 1.800
R-factor	0.152
Rwork	0.150
R-free	0.19100
RMSD bond length	0.010
RMSD bond angle	0.994
Data scaling software	Aimless
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	41.940
High resolution limit [Å]	1.800
Number of reflections	84385
<I/σ(I)>	8.4
Completeness [%]	99.6
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	294	15% P3350, 100 mM TrisHCl pH 8.4, 150 mM ammonium chloride