1GN4

H145E mutant of Mycobacterium tuberculosis iron-superoxide dismutase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	107.660, 102.860, 73.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
Rwork	0.172
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ids
RMSD bond length	0.012
RMSD bond angle	0.025
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	CCP4

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000
High resolution limit [Å]	2.500
Rmerge	0.107	0.297
Number of reflections	207000
Completeness [%]	94.4
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	277	100MM TRIS-HCL PH 7.0, 25% PEG 6000,PROTEIN CONCENTRATION = 3 MG/ML, 4 DEGREES CENTIGRADE.