8OSY

Trimeric catalytic domain of the E. coli Dihydrolipoamide Acetyltransferase (E2) of the pyruvate dehydrogenase complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000002
Spacegroup name	H 3
Unit cell lengths	148.149, 148.149, 119.954
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.960 - 1.890
R-factor	0.2078
Rwork	0.206
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.779
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.960	2.000
High resolution limit [Å]	1.890	1.890
Rmeas	0.055	1.008
Number of reflections	157861	25095
<I/σ(I)>	17.6
Completeness [%]	99.7
Redundancy	5.2
CC(1/2)	0.999	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	100 mM Tris-HCl pH 8.5, 200 mM MgCl2, 30 % (w/v) PEG 4000