1MFM

MONOMERIC HUMAN SOD MUTANT F50E/G51E/E133Q AT ATOMIC RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-11-01
Detector	MAR scanner 180 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	34.990, 48.110, 81.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.020
R-factor	0.118
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sos
RMSD bond length	0.031
RMSD bond angle	0.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.040
High resolution limit [Å]	1.000	1.020
Rmerge	0.061 *	0.247 *
Total number of observations	681833 *
Number of reflections	69841 *
<I/σ(I)>	9.7	2.2
Completeness [%]	99.1	98
Redundancy	4.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	4 *	PEG 6000 15%, CDCL2 200-400 MM, TRIS 100MM, PH=8, pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	reservoir	PEG6000	15 (%(v/v))
4	1	reservoir		200-400 (mM)
5	1	reservoir	Tris-HCl	100 (mM)