5DW4

Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate

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	2015-07-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	67.503, 110.393, 120.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.850 - 1.622
R-factor	0.1515
Rwork	0.150
R-free	0.17670
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4eu9
RMSD bond length	0.007
RMSD bond angle	1.136
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	1.650
High resolution limit [Å]	1.620	1.620
Rmerge		0.573
Number of reflections	113965
<I/σ(I)>	30.47	4.02
Completeness [%]	100.0	100
Redundancy	8.4	7.7

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, 50 mM sodium acetate