4EU4

Succinyl-CoA: acetate CoA-transferase (AarCH6) in complex with CoA (hexagonal lattice)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 62 2 2
Unit cell lengths	150.180, 150.180, 290.393
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.541 - 2.802
R-factor	0.1801
Rwork	0.178
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.201
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.6.3_473)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.114	0.036	0.718
Number of reflections	46836
<I/σ(I)>	34.1	101.5	3.9
Completeness [%]	97.1	99.9	92.2
Redundancy	18	20.5	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	2 M ammonium sulfate, 0.1 M sodium cacodylate, 0.2 M sodium chloride, 25 mM 2-mercaptoethanol, and 2 mM CoA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K