8GR8

Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomycescerevisiae

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	2016-06-24
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	P 41
Unit cell lengths	108.715, 108.715, 86.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.440 - 2.390
R-factor	0.1793
Rwork	0.177
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.464
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]	38.440	2.480
High resolution limit [Å]	2.390	2.390
Number of reflections	40003	4001
<I/σ(I)>	29.01	6.47
Completeness [%]	99.9
Redundancy	8.4
CC(1/2)	0.998	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	90 mM KCl, 90 mM HEPES pH 7.5, 13.5% (w/v) PEG 6000