2GDS

Interrupting the Hydrogen Bonding Network at the Active Site of Human Manganese Superoxide Dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-09-29
Detector	ADSC QUANTUM
Spacegroup name	P 21 21 21
Unit cell lengths	73.700, 77.570, 135.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 2.300
R-factor	0.199
Rwork	0.199
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qnm
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.300	2.300
Number of reflections	35154

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.8	298	19.3mg/ml protein, 25mM potassium phosphate, 20% polyethylene glycol 2000, monomethyl ether, pH 7.80, VAPOR DIFFUSION, temperature 298.0K