6FW9

Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 6-Fluoro-L-Tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	151.478, 174.322, 93.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.857 - 2.739
R-factor	0.2
Rwork	0.197
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ESE
RMSD bond length	0.009
RMSD bond angle	1.102
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.860	2.828
High resolution limit [Å]	2.739	2.739
Rmerge	0.146
Rmeas	0.159
Number of reflections	33026	3237
<I/σ(I)>	8.05
Completeness [%]	99.0	100
Redundancy	6.4	6.3
CC(1/2)	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM HEPES pH 7.5, 9% PEG 8000 and 9% ethylene glycol