5TE1

C20S, C293G Mutant N-terminal Human ATP Citrate Lyase Bound to 4R-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	2015-08-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97944
Spacegroup name	P 1 21 1
Unit cell lengths	98.770, 73.320, 131.370
Unit cell angles	90.00, 97.06, 90.00

Refinement procedure

Resolution	49.010 - 2.250
R-factor	0.1911
Rwork	0.188
R-free	0.24700
RMSD bond length	0.013
RMSD bond angle	1.176
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	49.010
High resolution limit [Å]	2.250
Number of reflections	82560
<I/σ(I)>	6.1
Completeness [%]	93.2
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	12.5% P3350, 200 mM MES pH 5.9, 125 mM ammonium acetate pH 5