1RU3

Crystal Structure of the monomeric acetyl-CoA synthase from Carboxydothermus hydrogenoformans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-25
Detector	ADSC QUANTUM 4
Wavelength(s)	1.733, 1.7421, 1.47, 1.05
Spacegroup name	H 3 2
Unit cell lengths	200.310, 200.310, 169.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.237
R-free	0.27400
Structure solution method	MAD
RMSD bond length	0.016 *
RMSD bond angle	2.000 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.049 *
Total number of observations	301338 *
Number of reflections	64871
Completeness [%]	97.6 *	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	17 *	ammonium phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium-dithionite	2 (mM)	pH6.8