3VLZ

Assimilatory nitrite reductase (Nii3) - N226K mutant - SO3 full 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	2010-02-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 4 21 2
Unit cell lengths	132.889, 132.889, 77.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.200 - 2.070
R-factor	0.2256
Rwork	0.223
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b0g
RMSD bond length	0.013
RMSD bond angle	1.497
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	2.180
High resolution limit [Å]	2.070	4.520	2.070
Rmerge	0.098	0.060	0.396
Number of reflections	42057
<I/σ(I)>	7.6	65.67	6.48
Completeness [%]	99.9	99.3	100
Redundancy	12.6	13.4	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	PEG4000, Tris-HCl, MgCl2, MPD, Na2SO3, pH 8.5, vapor diffusion, temperature 277K