6NZY

Structural Determination of the Carboxy-terminal portion of ATP-citrate lyase

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	PIXEL
Collection date	2018-05-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 32
Unit cell lengths	82.180, 82.180, 151.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.170 - 1.900
R-factor	0.1678
Rwork	0.167
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h12
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	Arcimboldo
Refinement software	PHENIX (dev_3381)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.610	75.610	1.940
High resolution limit [Å]	1.890	8.450	1.890
Rmerge	0.060	0.026	0.600
Number of reflections	91455
<I/σ(I)>	13.5		1.9
Completeness [%]	100.0	100	100
Redundancy	4.9	5.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	PEG 3350, sodium acetate, MES