1T6I

Nickel Superoxide Dismutase (NiSOD) Apo Structure

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-11
Detector	MARRESEARCH
Wavelength(s)	0.911656, 0.97912, 0.979311
Spacegroup name	C 2 2 21
Unit cell lengths	60.430, 110.241, 110.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.810
R-factor	0.238
Rwork	0.235
R-free	0.29200
Structure solution method	MAD
RMSD bond length	0.130
RMSD bond angle	1.380
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	9300
<I/σ(I)>	22.4	4.3
Completeness [%]	99.8	99.9
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	MPEG 2000, Hepes, methanol, calcium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K