1AS8

STRUCTURE OF NITRITE BOUND TO REDUCED ALCALIGENES FAECALIS NITRITE REDUCTASE AT CRYO TEMPERATURE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1995-08-10
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	61.100, 102.800, 146.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.850
R-factor	0.194
Rwork	0.194
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1as6
RMSD bond length	0.010
RMSD bond angle	27.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.000
High resolution limit [Å]	1.850	1.850
Rmerge	0.049	0.262
Number of reflections	67706	7173 *
<I/σ(I)>	9.9	2.6
Completeness [%]	83.0	70 *
Redundancy	2.3	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5		10% PEG4000, 0.1 SODIUM ACETATE PH 4.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	10 (%)
2	1	reservoir	sodium acetate	0.1 (M)