3FCJ

Nitroalkane oxidase: mutant402N crystallized with nitroethane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	P 32 2 1
Unit cell lengths	108.763, 108.763, 340.897
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.2
Rwork	0.197
R-free	0.25100
RMSD bond length	0.014
RMSD bond angle	1.510
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge		0.999
Number of reflections	91770
<I/σ(I)>		2.7
Completeness [%]	98.9
Redundancy	3.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20-30 mM PEG 3350, 20-35% glycerol, 0.1M NaCacodylate, pH 7.5, vapor diffusion, hanging drop, temperature 298K