1P1V

Crystal Structure of FALS-associated human Copper-Zinc Superoxide Dismutase (CuZnSOD) Mutant D125H to 1.4A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-07
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	70.449, 101.140, 143.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.400
R-factor	0.1463
Rwork	0.146
R-free	0.21210
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	0.028
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.048	0.426
Number of reflections	95234
<I/σ(I)>	30.16	2.62
Completeness [%]	94.7	85.1
Redundancy	6.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	278	zinc sulfate, PEG MME 550, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
1	VAPOR DIFFUSION, HANGING DROP	6.5	278	zinc sulfate, PEG MME 550, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K