1L9R

CRYSTAL STRUCTURE OF THE I257M VARIANT OF THE COPPER-CONTAINING NITRITE REDUCTASE FROM ALCALIGENES FAECALIS S-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-06-10
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	61.770, 102.380, 146.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.600 - 1.780
Rwork	0.154
R-free	0.19700
Structure solution method	isomorphous
RMSD bond length	0.010
RMSD bond angle	26.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.600	1.890
High resolution limit [Å]	1.780	1.780
Rmerge	0.082	0.306
Number of reflections	84883 *
<I/σ(I)>	15.9	3.2
Completeness [%]	95.0 *	77.6
Redundancy	9.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	19 *	acetate peg 4000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	0.1 (M)	pH4.7
2	1	reservoir	PEG4000	6-10 (%(v/v))
3	1	reservoir	cupric chloride	1-5 (mM)
4	1	drop	protein	15 (mg/ml)
5	1	drop	Tris	10 (mM)	pH7.0