1T3Q

Crystal structure of quinoline 2-Oxidoreductase from Pseudomonas Putida 86

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-11-10
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	C 1 2 1
Unit cell lengths	278.320, 72.100, 202.650
Unit cell angles	90.00, 127.98, 90.00

Refinement procedure

Resolution	19.290 - 1.800
R-factor	0.186
Rwork	0.186
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n5w
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.800	1.800
Number of reflections	290508
Completeness [%]		99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	277	Tris-HCl, ammonium sulfate, glycerol, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K