1ESO

MONOMERIC CU,ZN SUPEROXIDE DISMUTASE FROM ESCHERICHIA COLI

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1996-04-07
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	33.000, 52.400, 43.200
Unit cell angles	90.00, 111.20, 90.00

Refinement procedure

Resolution	26.000 - 2.000
Rwork	0.168
R-free	0.26300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SUPEROXIDE DISMUTASE FROM P.LEIOGNATHI SOLVED BY SIRAS IN THE DEPOSITORS' LAB
RMSD bond length	0.018
RMSD bond angle	19.360 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	TNT (5B)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.300	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.180
Total number of observations	28077 *
Number of reflections	9044
<I/σ(I)>	17	3.5
Completeness [%]	96.4	87
Redundancy	3.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5		PROTEIN WAS CRYSTALLIZED FROM 30% PEG 4000, 0.2 M MGCL2, 0.1 M TRIS, PH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG4000	30 (%(w/v))
3	1	reservoir		0.2 (M)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.5