1ET7

CRYSTAL STRUCTURE OF NITRITE REDUCTASE HIS255ASP MUTANT FROM ALCALIGENES FAECALIS S-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-02-10
Detector	RIGAKU RAXIS IIC
Spacegroup name	H 3
Unit cell lengths	127.640, 127.640, 67.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	500.000 - 1.700
R-factor	0.188
Rwork	0.188
R-free	0.21000
RMSD bond length	0.009
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.700	1.700
Rmerge	0.050	0.226
Total number of observations	132215 *
Number of reflections	41502
<I/σ(I)>	14.2
Completeness [%]	92.1 *	81.5 *
Redundancy	2.9	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.7	298	PEG 6000 sodium cacodylate, cadmium acetate, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium cacodylate	0.1 (M)
2	1	1	PEG4000	10-15 (%)	or PEG6000, PEG8000
3	1	1	zinc salt	50-75 (mM)
4	1	1	protein	10-15 (mg/ml)