6YSV

E. coli anaerobic trifunctional enzyme subunit-alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	I 1 2 1
Unit cell lengths	128.583, 90.751, 172.912
Unit cell angles	90.00, 96.11, 90.00

Refinement procedure

Resolution	54.510 - 2.700
R-factor	0.2254
Rwork	0.224
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dv2 chain G
RMSD bond length	0.002
RMSD bond angle	0.484
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	PHENIX (1.16 3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.260	2.950
High resolution limit [Å]	2.700	2.700
Rpim	0.034	0.924
Number of reflections	54053	4378
<I/σ(I)>	12.2	1
Completeness [%]	99.2	98.8
Redundancy	5.8	6
CC(1/2)	0.999	0.360

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