1WB7

Iron Superoxide Dismutase (Fe-SOD) From The Hyperthermophile Sulfolobus Solfataricus. Crystal Structure of the Y41F mutant.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-24
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	75.188, 121.753, 59.420
Unit cell angles	90.00, 128.74, 90.00

Refinement procedure

Resolution	29.070 - 2.240
R-factor	0.181
Rwork	0.181
R-free	0.22200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1SSS
RMSD bond length	0.006
RMSD bond angle	1.330 *
Data reduction software	XDS
Data scaling software	XDS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.900	2.390
High resolution limit [Å]	2.240	2.240
Rmerge	0.093 *	0.255 *
Number of reflections	19994
<I/σ(I)>	13.6	5.2
Completeness [%]	99.7	99.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8 *	21 *	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 (1.45 MG/ML Y41F-SSSOD, 20 MM TRIS/HCL PH 7.8, 1% GLYCEROL).

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	8 (%)
2	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
3	1	drop	protein	1.45 (mg/ml)
4	1	drop	Tris-HCl	20 (mM)	pH7.8
5	1	drop	glycerol	1 (%)