1HL4

The Structure of Apo Type Human Cu, Zn Superoxide Dismutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-15
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	156.404, 34.978, 114.809
Unit cell angles	90.00, 112.26, 90.00

Refinement procedure

Resolution	25.000 - 1.820
R-factor	0.234
Rwork	0.232
R-free	0.28200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sos
RMSD bond length	0.016
RMSD bond angle	1.819
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.820 *	1.820 *
Rmerge	0.061 *	0.350
Total number of observations	176234 *
Number of reflections	50360 *
<I/σ(I)>	20	2.7
Completeness [%]	96.1 *	83.6 *
Redundancy	3.5 *	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6 *		0.2M NH4CL, 20%PEG2000, 10% ETHYLENE GLYCOL, 0.1 M MES PH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	PEG2000	10 (%)
3	1	drop		100 (mM)
4	1	drop	MES	50 (mM)	pH5.6
5	1	reservoir	PEG2000	20 (%)
6	1	reservoir		200 (mM)
7	1	reservoir	MES	100 (mM)	pH5.6