7LY5

Proteolyzed crystal structure of the bacillamide NRPS, BmdB, in complex with the oxidase BmdC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	85.524, 85.524, 415.188
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.300 - 2.500
R-factor	0.2312
Rwork	0.229
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BmdC oxidase
RMSD bond length	0.007
RMSD bond angle	0.888
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	2.540
High resolution limit [Å]	2.500	2.500
Rmeas	0.111
Rpim	0.033
Number of reflections	20730	20730
<I/σ(I)>	29.5	2.6
Completeness [%]	99.7
Redundancy	11.7
CC(1/2)		0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	50mM Tris-HCl pH7.5, 160mM KCl and 21% PEG3350 (wt/vol)