1T6U

Nickel Superoxide Dismutase (NiSOD) Native 1.30 A Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	64.147, 111.680, 106.834
Unit cell angles	90.00, 94.51, 90.00

Refinement procedure

Resolution	50.000 - 1.300
Rwork	0.158
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t6i
RMSD bond length	0.011
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.350
High resolution limit [Å]	1.300	1.300
Number of reflections	347567
<I/σ(I)>	18.5	1.6
Completeness [%]	94.5	79.8
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	MPEG 5000, Hepes, methanol, calcium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K