8GQZ

Crystal structure of mitochondrial citrate synthase (Cit1) from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-17
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	62.328, 102.398, 146.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.640 - 1.420
R-factor	0.1666
Rwork	0.166
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.551
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.640	1.471
High resolution limit [Å]	1.420	1.420
Number of reflections	173510	16335
<I/σ(I)>	26.36
Completeness [%]	97.9
Redundancy	6.5
CC(1/2)	0.998	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	140 mM Ca(OAc)2, 70 mM Tris pH 7.0, 14% (w/v) PEG 3000