2GJN

crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-03
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9791, 0.9749, 0.9500
Spacegroup name	P 31 2 1
Unit cell lengths	93.005, 93.005, 80.502
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.300
Rwork	0.188
R-free	0.23200
Structure solution method	MAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.077	0.039	0.339
Number of reflections	20734	2137	2049
<I/σ(I)>	11
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	297	0.1M HEPES at pH 7.0, 5%(w/v) tacsimate at pH 7.0, 10%(w/v) PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 297K
1	VAPOR DIFFUSION, HANGING DROP	7	297	0.1M HEPES at pH 7.0, 5%(w/v) tacsimate at pH 7.0, 10%(w/v) PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 297K
1	VAPOR DIFFUSION, HANGING DROP	7	297	0.1M HEPES at pH 7.0, 5%(w/v) tacsimate at pH 7.0, 10%(w/v) PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 297K