2GJL

Crystal Structure of 2-nitropropane dioxygenase

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	2003-12-02
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97915, 0.97948, 0.95000
Spacegroup name	P 31 2 1
Unit cell lengths	93.546, 93.546, 80.704
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.000
Rwork	0.191
R-free	0.22700
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]	15.000	15.000	2.070
High resolution limit [Å]	2.000	4.280	2.000
Rmerge	0.074	0.042	0.279
Number of reflections	27790	2809	2753
<I/σ(I)>	9.4
Completeness [%]	99.5

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