3VM0

Assimilatory nitrite reductase (Nii3) - N226K mutant - NO2 complex from tobacco 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]	95
Detector technology	CCD
Collection date	2010-02-24
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 4 21 2
Unit cell lengths	133.229, 133.229, 77.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.760 - 1.695
R-factor	0.1642
Rwork	0.163
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b0g
RMSD bond length	0.011
RMSD bond angle	1.297
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	1.760
High resolution limit [Å]	1.695	3.660	1.695
Rmerge	0.063	0.036	0.506
Number of reflections	76165
<I/σ(I)>	11.6	88.04	5.24
Completeness [%]	98.4	99.2	94.7
Redundancy	12	13.7	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	PEG4000, Tris-HCl, MgCl2, MPD, NaNO2, pH 8.5, vapor diffusion, temperature 277K