6NET

FAD-dependent monooxygenase TropB from T. stipitatus substrate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	70.405, 183.834, 164.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.960 - 2.250
R-factor	0.1855
Rwork	0.183
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nes
RMSD bond length	0.013
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.960	2.325
High resolution limit [Å]	2.245	2.245
Rmerge	0.190	2.457
Number of reflections	47286
<I/σ(I)>	1
Completeness [%]	99.8
Redundancy	13.3
CC(1/2)	0.996	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293.15	1.11 M ammonium tartrate dibasic, 6% hexanediol