6YSW

E. coli anaerobic trifunctional enzyme subunit-alpha in complex with coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9688
Spacegroup name	C 1 2 1
Unit cell lengths	204.793, 90.724, 128.625
Unit cell angles	90.00, 123.17, 90.00

Refinement procedure

Resolution	85.720 - 2.820
R-factor	0.2027
Rwork	0.200
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ysv
RMSD bond length	0.003
RMSD bond angle	0.573
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.670	3.150
High resolution limit [Å]	2.820	2.820
Rpim	0.094	0.515
Number of reflections	28799	1440
<I/σ(I)>	4.8	1.6
Completeness [%]	84.5	61.5
Redundancy	4.1	4.6
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	100 mM Tris, 1.8 M ammonium sulfate, 4.5 % glycerol, pH 8.0, and 5 % 1,4-dioxane