1O7X

Citrate synthase from Sulfolobus solfataricus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF NONIUS
Temperature [K]	287
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Spacegroup name	P 1 21 1
Unit cell lengths	77.340, 97.860, 119.330
Unit cell angles	90.00, 107.60, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.208
Rwork	0.208
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009 *
RMSD bond angle	0.032 *
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.820
High resolution limit [Å]	2.700	2.710
Rmerge	0.072	0.229
Total number of observations	148169 *
Number of reflections	46758
<I/σ(I)>	9.4	3.2
Completeness [%]	88.6	91.2
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2		pH 7.20

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	citrate	10 (mM)	and CoA
3	1	reservoir	Tris-HCl	100 (mM)	pH7.2
4	1	reservoir	PEG8000	17 (%(v/v))
5	1	reservoir		0.1 (M)