1SXS

Reduced bovine superoxide dismutase at pH 5.0 complexed with thiocyanate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1996-10-15
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	104.600, 197.500, 50.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.175 *
Rwork	0.175
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sxc
RMSD bond length	0.019
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CCP4

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.076	0.264
Total number of observations	200034 *
Number of reflections	34111 *
<I/σ(I)>	8	3.6
Completeness [%]	96.9	90.7
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	free interface diffusion *	5	22 *	20 % PEG6K, 20MM HEPES, 100MM NASCN, PH 5.0, SODIUM DITHIONITE (EXCESS), NITROGEN ATMOSPHERE, excess nitrogen atmosphere

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG6000	20 (%)
2	1	1		100 (mM)
3	1	2	protein	7 (mg/ml)