1BQ5

NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS GIFU 1051

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-06-03
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 63
Unit cell lengths	106.565, 106.565, 63.578
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.050
R-factor	0.18 *
Rwork	0.180
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NIR FROM ACHROMOBACTER CYCLOCLASTES
RMSD bond length	0.009
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.780	2.250
High resolution limit [Å]	2.050	2.050
Rmerge	0.054	0.182
Total number of observations	89691 *
Number of reflections	23309
<I/σ(I)>	13.9	3.8
Completeness [%]	87.3	78.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	20 *	pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	Tris-HCl	0.1 (M)
3	1	drop	sodium acetate	0.2 (M)
4	1	drop	PEG4000	12 (%)
5	1	reservoir	PEG4000	24 (%)
6	1	reservoir	Tris-HCl	0.1 (M)
7	1	reservoir	sodium acetate	0.2 (M)