3B0L

M175G mutant of assimilatory nitrite reductase (Nii3) from tobbaco leaf

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2009-10-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 4 21 2
Unit cell lengths	133.271, 133.271, 77.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.990 - 1.700
R-factor	0.1779
Rwork	0.176
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b0g
RMSD bond length	0.011
RMSD bond angle	1.325
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.061	0.038	0.370
Number of reflections	74661
<I/σ(I)>	13.7	61.47	4.94
Completeness [%]	96.4	99.1	96.2
Redundancy	5.4	6.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	PEG4000, Tris-HCl, MgCl2, MPD, pH 8.5, vapor diffusion, temperature 277K