7LY6

Structure of a trans-acting NRPS oxidase, BmdC, involved in bacillamide biosynthesis

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	2016-10-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	I 21 3
Unit cell lengths	188.150, 188.150, 188.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.070 - 2.730
R-factor	0.1731
Rwork	0.172
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eo7
RMSD bond length	0.012
RMSD bond angle	1.247
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.080	2.860
High resolution limit [Å]	2.730	2.730
Rmerge	0.249
Number of reflections	29493	29506
<I/σ(I)>	1.6
Completeness [%]	99.9
Redundancy	9.2
CC(1/2)		0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	35% PEG1500 (wt/vol), 0.1M SPG buffer pH9.0. [1M SPG buffer: (1.48g of succinic acid, 6.04g sodium dihydrogen phosphate monohydrate and 3.28g of glycine in 100ml of water)]