6NEV

FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant

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	70.259, 184.508, 163.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.130 - 2.303
R-factor	0.188
Rwork	0.186
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nes
RMSD bond length	0.007
RMSD bond angle	0.848
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]	46.130	2.386
High resolution limit [Å]	2.303	2.303
Rmerge	0.092	1.092
Number of reflections	47286
<I/σ(I)>	1.44
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	1.11 M ammonium tartrate dibasic, 6% hexanediol