5TTJ

Crystal Structure of Nicotine Oxidoreductase from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	67.973, 61.564, 92.277
Unit cell angles	90.00, 92.51, 90.00

Refinement procedure

Resolution	92.188 - 2.200
R-factor	0.1764
Rwork	0.175
R-free	0.23110
RMSD bond length	0.007
RMSD bond angle	0.981
Data scaling software	XDS
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.270	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.084	0.246
Number of reflections	38640
<I/σ(I)>	13.7	5.6
Completeness [%]	99.2	99.5
Redundancy	3.4
CC(1/2)	0.990	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	290	4% v/v 2-propanol, 0.1 M BIS-TRIS propane pH 9.0 and 20% w/v polyethylene glycol (PEG)