6ZZK

Crystal structure of the catalytic domain of C. glutamicum AceF (E2p) in ternary complex with CoA and dihydrolipoamide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.5498
Spacegroup name	P 21 3
Unit cell lengths	132.127, 132.127, 132.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.430 - 2.090
R-factor	0.1642
Rwork	0.164
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zzj
RMSD bond length	0.008
RMSD bond angle	0.910
Data reduction software	autoPROC
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.430	2.126
High resolution limit [Å]	2.090	2.090
Rpim	0.028	0.334
Number of reflections	45719	2292
<I/σ(I)>	16.6	2.2
Completeness [%]	100.0	100
Redundancy	19.2	19.1
CC(1/2)	0.999	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	291	0.1 M Tris-HCl pH 7.3, 1.62 M tri-sodium citrate