4EU7

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

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	2009-12-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	67.415, 110.850, 120.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.800 - 1.700
R-factor	0.1577
Rwork	0.156
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g39
RMSD bond length	0.006
RMSD bond angle	1.044
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	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.105	0.042	0.542
Number of reflections	99312
<I/σ(I)>	30	85.3	2.9
Completeness [%]	99.8	99.3	97.6
Redundancy	13.3	14.1	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1 M sodium citrate, 0.1 M imidazole, 25 mM 2-mercaptoethanol, and 2 mM CoA, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K