4YAJ

Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (apo form)

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	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	105.808, 111.244, 125.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.337 - 2.200
R-factor	0.2158
Rwork	0.214
R-free	0.24130
RMSD bond length	0.003
RMSD bond angle	0.771
Data reduction software	XDS (September 26, 2012)
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.810	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.239	2.162
Number of reflections	73935
<I/σ(I)>	6.4	0.4
Completeness [%]	97.3	57
Redundancy	7.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	100 mM Tris/HCl pH 8.5, 14% (w/v) PEG6000, 6.3 mM MgCl2