1AS7

STRUCTURE OF 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	1994-02-17
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	61.860, 102.800, 146.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.191
Rwork	0.191
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1as6
RMSD bond length	0.011
RMSD bond angle	26.800 *
Data reduction software	RIGAKU
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.250
High resolution limit [Å]	2.000	2.000
Rmerge	0.082	0.136
Number of reflections	46591	8200 *
<I/σ(I)>	9	3.4
Completeness [%]	74.0	45 *
Redundancy	2	1.2

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)	pH4.0-4.8