1SXN

REDUCED BOVINE SUPEROXIDE DISMUTASE AT PH 5.0

Experimental procedure

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	1995-11
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	104.690, 197.800, 50.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
R-factor	0.184 *
Rwork	0.180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sxc
RMSD bond length	0.014
RMSD bond angle	0.046
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CCP4

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.091	0.075
Total number of observations	209202 *
Number of reflections	41816 *
<I/σ(I)>	8.5	3.5
Completeness [%]	97.2	98
Redundancy	5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	free interface diffusion *	5	22 *	20 % PEG6K, 20MM HEPES 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	2	protein	7 (mg/ml)