6SJY

Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its product ADABA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	174.214, 174.214, 60.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	123.190 - 2.200
R-factor	0.1687
Rwork	0.167
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6slk
RMSD bond length	0.021
RMSD bond angle	2.145
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.200	2.150
High resolution limit [Å]	2.020	2.020
Number of reflections	61331	9451
<I/σ(I)>	16.75	2.46
Completeness [%]	99.4	96.3
Redundancy	11.67	11.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.17 M ammonium sulphate, 0.085 M MES pH 6.5, 25.5 % (w/v) PEG 5000 MME, 15 % (v/v) glycerol, 20 mM N-gamma-acetyl-2,4-diaminobutyrate