5ZBD

Crystal structure of tryptophan oxidase (C395A mutant) from Chromobacterium violaceum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-18
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	87.860, 89.270, 112.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.980 - 1.800
R-factor	0.15981
Rwork	0.158
R-free	0.20225
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.832
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP (11.2.05)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.980	69.980	1.900
High resolution limit [Å]	1.800	5.000	1.800
Rmerge	0.095	0.087	0.274
Rmeas	0.103	0.094	0.295
Total number of observations	605654
Number of reflections	82681	4107	12246
<I/σ(I)>	14.45	21.21	6.82
Completeness [%]	100.0	99.5	100
Redundancy	7.325	6.852	7.341

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M MES, 40% Polyethylene glycol 400, pH6.8