1IBB

X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT W83F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-04-11
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	H 3 2
Unit cell lengths	87.120, 87.120, 98.392
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.177 *
Rwork	0.177
R-free	0.21000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	P.leiognathi Cu Zn SOD wild type
RMSD bond length	0.006
RMSD bond angle	1.220
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.100
Rmerge	0.170
Total number of observations	80432 *
Number of reflections	7985
<I/σ(I)>	9
Completeness [%]	95.4
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.5	100 *	PEG 8k, NaCl, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 301K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG8000	30 (%)
2	1	1		0.1 (M)
3	1	1	sodium acetate	0.05 (M)
4	1	1	glycerol	10 (%)