1JA8

Kinetic Analysis of Product Inhibition in 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]	132
Detector technology	IMAGE PLATE
Collection date	2000-12-09
Detector	MARRESEARCH
Wavelength(s)	0.77300
Spacegroup name	P 61 2 2
Unit cell lengths	79.608, 79.608, 240.101
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.820 - 2.120
R-factor	0.249 *
Rwork	0.243
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ap6
RMSD bond length	0.026
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.084	0.519
Number of reflections	26963
<I/σ(I)>	9.8	4
Completeness [%]	98.9	100
Redundancy	6.6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8	300	ammonium sulfate, imidazole-malate, pH 8, VAPOR DIFFUSION, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	2-3 (M)
2	1	1	imidazole malate	100 (mM)