1L9T

CRYSTAL STRUCTURE OF THE I257V 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	2001-07-16
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	61.730, 102.340, 145.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.750
Rwork	0.166
R-free	0.20800
Structure solution method	isomorphous
RMSD bond length	0.010
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	1.860
High resolution limit [Å]	1.750	1.750
Rmerge	0.065	0.319
Number of reflections	90038
<I/σ(I)>	15.1	4.1
Completeness [%]	95.2	83.8

Crystallization Conditions

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