6SK1

Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 43 21 2
Unit cell lengths	68.282, 68.282, 79.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.880 - 1.500
R-factor	0.1487
Rwork	0.147
R-free	0.18340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6slk
RMSD bond length	0.028
RMSD bond angle	2.597
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.890	1.210
High resolution limit [Å]	1.130	1.130
Number of reflections	70942	12931
<I/σ(I)>	13.46
Completeness [%]	99.9	99.8
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.1 M magnesium chloride, 0.1 M sodium chloride, 12 % (w/v) PEG 4000, 0.1 M tri-sodium citrate pH 5.5, 5 mM coenzyme A