4QIS

Crystal structure of Nitroalkane Oxidase from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-22
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	69.895, 54.834, 88.202
Unit cell angles	90.00, 95.79, 90.00

Refinement procedure

Resolution	38.921 - 1.906
R-factor	0.1929
Rwork	0.191
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bw2
RMSD bond length	0.008
RMSD bond angle	1.129
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.921	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	50640
Completeness [%]	97.0	82.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	295	0.2M Ammonium fluoride, 20% polyethylene glycol 3350, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K