5TTK

Crystal Structure of Selenomethionine-incorporated Nicotine Oxidoreductase from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	97.102, 126.134, 168.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.551 - 2.510
R-factor	0.204
Rwork	0.203
R-free	0.24630
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.953
Data scaling software	HKL-2000
Phasing software	PHENIX (1.10.1_2155: 000)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.551	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.193	0.597
Number of reflections	69981
<I/σ(I)>	13.4	2.6
Completeness [%]	96.0	88
Redundancy	5.3	3.6
CC(1/2)	0.980	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	290	0.1 M sodium citrate tribasic dihydrate pH 8.3, 15% w/v PEG 3,350