1PTZ

Crystal structure of the human CU, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (FALS) Mutant H43R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	96
Detector technology	CCD
Collection date	1999-03-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9780
Spacegroup name	C 1 2 1
Unit cell lengths	111.199, 47.525, 56.041
Unit cell angles	90.00, 97.99, 90.00

Refinement procedure

Resolution	29.000 * - 1.800
R-factor	0.186
Rwork	0.186
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	25.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000 *	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.057 *	0.185 *
Total number of observations	79802 *
Number of reflections	25294
<I/σ(I)>	15.4	4.72
Completeness [%]	97.4	97.7 *
Redundancy	3.15	3.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	ammonium sulphate, sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	ammonium sulfate	2.6 (M)
3	1	reservoir		1.45 (M)
4	1	reservoir	Tris-HCl	50 (mM)	pH7.5