1AVM

THE CAMBIALISTIC SUPEROXIDE DISMUTASE (FE-SOD) OF P. SHERMANII COORDINATED BY AZIDE

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1997-03
Detector	SIEMENS
Spacegroup name	C 2 2 21
Unit cell lengths	79.680, 85.420, 108.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.700 * - 1.550
R-factor	0.166 *
Rwork	0.171
R-free	0.19500 *
Structure solution method	ISOMORPHOUS WITH FE-SOD OF P.SHERMANII
Starting model (for MR)	1ar5
RMSD bond length	0.005
RMSD bond angle	21.350 *
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.800	1.600
High resolution limit [Å]	1.550	1.550
Rmerge	0.042 *	0.158
Total number of observations	183083 *
Number of reflections	47159 *
<I/σ(I)>	14.1	4.8
Completeness [%]	84.6	61.9
Redundancy	3.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.1 *	4 *	Schmidt, M., (1996) J.Biol.Inorg.Chem., 1, 532. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	50 (mg/ml)
2	1	drop	ammonium sulfate	2.15 (M)