3B0M

M175K 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	133.152, 133.152, 77.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.590 - 1.900
R-factor	0.1645
Rwork	0.163
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b0g
RMSD bond length	0.014
RMSD bond angle	1.429
Data reduction software	HKL-2000
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.089	0.054	0.367
Number of reflections	55082
<I/σ(I)>	11	61.92	6.63
Completeness [%]	99.1	98.7	97.5
Redundancy	12.6	13.6	12

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