6FW7

Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 4-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	151.812, 174.880, 93.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.035 - 3.000
R-factor	0.1986
Rwork	0.195
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6esd
RMSD bond length	0.010
RMSD bond angle	1.234
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]	59.040	3.120
High resolution limit [Å]	3.000	3.000
Rmerge	0.270
Rmeas	0.294
Number of reflections	25435	2508
<I/σ(I)>	5.47
Completeness [%]	100.0	100
Redundancy	6.5	6.7
CC(1/2)	0.848

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