1GN2

S123C mutant of the iron-superoxide dismutase from Mycobacterium tuberculosis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-03-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	103.080, 106.330, 76.100
Unit cell angles	90.00, 92.37, 90.00

Refinement procedure

Resolution	21.000 - 3.400
R-factor	0.249 *
Rwork	0.249
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ids
RMSD bond length	0.011
RMSD bond angle	0.027
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	CCP4

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	3.500
High resolution limit [Å]	3.400	3.400
Rmerge	0.197	0.457
Number of reflections	15208
<I/σ(I)>	3.5	1.6
Completeness [%]	67.5	67.7
Redundancy	1.7	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	4 *	100MM TRIS-HCL PH 7.0, 25% PEG 6000, PROTEIN CONCENTRATION = 3 MG/ML.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.0 (mg/ml)
2	1	reservoir	Tris	100 (mM)	pH7.0
3	1	reservoir	PEG6000	25 (%)