1NPJ

Crystal structure of H145A mutant of nitrite reductase from Alcaligenes faecalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-10-10
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	61.600, 102.520, 146.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.410 - 1.900
Rwork	0.177
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j9q
RMSD bond length	0.009
RMSD bond angle	26.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.900	1.900
Rmerge	0.088 *	0.261 *
Number of reflections	64626	12511 *
<I/σ(I)>		4
Completeness [%]	87.6	86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.5	300	PEG 8000, sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium cacodylate	0.1 (M)	pH5.5
2	1	reservoir	sodium acetate	0.1 (M)	pH4.7
3	1	reservoir	zinc acetate	2 (mM)
4	1	reservoir		2 (mM)	pH5.5
5	1	reservoir	PEG600	8-12 (%)