7LY7

Crystal structure of the elongation module of the bacillamide NRPS, BmdB, in complex with the oxidase BmdC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	149.960, 149.960, 319.551
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.280 - 3.800
R-factor	0.3006
Rwork	0.298
R-free	0.32590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t3e 7ly6 7ly5
RMSD bond length	0.003
RMSD bond angle	0.740
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.360	4.100
High resolution limit [Å]	3.800	3.800
Number of reflections	21691	21691
<I/σ(I)>	4.5	1.5
Completeness [%]	100.0
Redundancy	23.3
CC(1/2)	0.996	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.2M sodium citrate, 14% (w/v) PEG3350, 0.08M guanidine hydrochloride, 0.1M Bis Tris propane pH6.1 and 5.6mg/ml of the dimeric complex of the elongation module of BmdB and the oxidase, BmdC