6ESD

Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9282
Spacegroup name	C 2 2 21
Unit cell lengths	151.610, 172.600, 94.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.778 - 2.600
R-factor	0.2113
Rwork	0.209
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3x0v
RMSD bond length	0.009
RMSD bond angle	1.135
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]	63.780	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.048	0.302
Rmeas	0.054	0.346
Number of reflections	38134	3731
<I/σ(I)>	24.35	4.34
Completeness [%]	99.0	96
Redundancy	4.55	4.02
CC(1/2)	0.999	0.907

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