1WB8

Iron Superoxide Dismutase (FE-SOD) from the Hyperthermophile SULFOLOBUS SOLFATARICUS. 2.3 A Resolution Structure of Recombinant Protein with a Covalently Modified Tyrosine in the Active Site.

Replaces:  1SSS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ROTAFLEX RU-2
Temperature [K]	294
Detector technology	IMAGE PLATE
Collection date	1997-07-09
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	76.266, 124.324, 60.268
Unit cell angles	90.00, 128.75, 90.00

Refinement procedure

Resolution	22.910 - 2.300
R-factor	0.167
Rwork	0.167
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ABM
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.090	0.310
Number of reflections	18647
<I/σ(I)>	7.4	2.3
Completeness [%]	96.3	94.7
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	CRYSTALS WERE GROWN BY VAPOR DIFFUSION IN HANGING DROPS AT 21C IN A 1 TO 1 MIX OF THE RESERVOIR SOLUTION (8% PEG 8000, 0.1 M TRIS/HCL PH 8.5) AND A PROTEIN SOLUTION (2.0 MG/ML SSSOD).