3B0H

Assimilatory nitrite reductase (Nii4) from tobbaco root

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-17
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	99.343, 112.085, 92.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.250 - 2.306
R-factor	0.1812
Rwork	0.178
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b0g
RMSD bond length	0.014
RMSD bond angle	1.553
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.106	0.050	0.426
Number of reflections	45735
<I/σ(I)>	10.8
Completeness [%]	99.5	99.9	98
Redundancy	2	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	PEG4000, Tris-HCl, MgCl2, MPD, EDTA, PEG400, pH 8.5, vapor diffusion, temperature 277K