5E5H

Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and degradation products from the acetyl-CoA analogue dethiaacetyl-CoA

Replaces:  4FAC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	67.192, 109.844, 119.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.393 - 2.052
R-factor	0.1533
Rwork	0.151
R-free	0.19370
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4eu9
RMSD bond length	0.013
RMSD bond angle	1.376
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	55051
<I/σ(I)>	24.4	4.4
Completeness [%]	98.0	97.3
Redundancy	13.3	12.7

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, 10 mM dethiaacetyl-CoA