1COJ

FE-SOD FROM AQUIFEX PYROPHILUS, A HYPERTHERMOPHILIC BACTERIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	287
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	70.700, 75.630, 87.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.17
Rwork	0.170
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.059	0.146
Total number of observations	100516 *
Number of reflections	18506
Completeness [%]	98.4	96.8
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		drop consists of equal volume of enzyme and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	phosphate	20 (mM)
3	1	reservoir	methyl pentanediol	30-35 (%(v/v))
4	1	reservoir	sodium acetate	100 (mM)
5	1	reservoir	calcium chloride	20 (mM)