6FW8

Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 5-Methyl-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	151.130, 174.088, 93.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.875 - 2.400
R-factor	0.1909
Rwork	0.188
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6esd
RMSD bond length	0.008
RMSD bond angle	1.023
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]	58.875	2.449
High resolution limit [Å]	2.400	2.400
Rmerge	0.105
Rmeas	0.115
Number of reflections	48699	4768
<I/σ(I)>	9.44
Completeness [%]	98.0	100
Redundancy	6.6	6
CC(1/2)	0.979

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