1OZU

Crystal Structure of Familial ALS Mutant S134N of human Cu,Zn Superoxide Dismutase (CuZnSOD) to 1.3A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-21
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
Unit cell lengths	40.086, 56.457, 105.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.100 * - 1.300
R-factor	0.17806
Rwork	0.177
R-free	0.21100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1azv
RMSD bond length	0.010
RMSD bond angle	1.500 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.380
High resolution limit [Å]	1.300	1.300
Rmerge	0.050	0.498
Total number of observations	270095 *
Number of reflections	58507
<I/σ(I)>	23.7	2.86
Completeness [%]	97.9	87.1
Redundancy	4.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	25 *	Ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	MES	10 (mM)	pH6.5
3	1	reservoir	sodium sulfate decahydrate	0.2 (M)
4	1	reservoir	PEG3350	20 (%(w/v))