4EU5

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0331
Spacegroup name	P 21 21 21
Unit cell lengths	67.605, 110.562, 119.463
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.795 - 1.743
R-factor	0.1695
Rwork	0.167
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.060
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	1.810
High resolution limit [Å]	1.743	3.770	1.750
Rmerge	0.124	0.054	0.623
Number of reflections	91574
<I/σ(I)>	34.1	66.7	3.6
Completeness [%]	100.0	99.8	100
Redundancy	9.5	10.1	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	298	0.9 M sodium citrate, 0.1 M imidazole, 25 mM 2-mercaptoethanol, and 2 mM acetyl-CoA, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K