1IBH

X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT M41I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-07-02
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	86.140, 86.140, 97.846
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.000 - 2.000
R-factor	0.229 *
Rwork	0.229
R-free	0.28700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	P.leiognathi Cu Zn SOD wild type
RMSD bond length	0.005
RMSD bond angle	1.230
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	18.000
High resolution limit [Å]	2.000
Rmerge	0.063
Total number of observations	106644 *
Number of reflections	9449
<I/σ(I)>	26
Completeness [%]	99.6
Redundancy	11.3

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 (%)