4Y8V

Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and additional ADP bound to phosphate binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-18
Detector	PSI PILATUS 6M
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	106.470, 110.990, 126.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.211 - 2.099
R-factor	0.1865
Rwork	0.184
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.921
Data reduction software	XDS (July 4, 2012)
Data scaling software	XSCALE (November 3, 2014)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.211	2.140
High resolution limit [Å]	2.099	2.100
Rmerge	0.167	1.242
Number of reflections	86108
<I/σ(I)>	10.1	1.1
Completeness [%]	97.6	77.9
Redundancy	6.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	100 mM Tris/HCl pH8.3, 16% (w/v) PEG6000