1P7G

Crystal structure of superoxide dismutase from Pyrobaculum aerophilum

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-06-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9785, 0.9708, 0.9787, 0.9863
Spacegroup name	P 32
Unit cell lengths	163.429, 163.429, 172.169
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.450 - 1.800
R-factor	0.162
Rwork	0.162
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1SSS
RMSD bond length	0.007
RMSD bond angle	21.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	GLRF
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.400 *	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.076	0.302
Total number of observations	2013670 *
Number of reflections	465126
<I/σ(I)>	20.1	3.3
Completeness [%]	97.6	82.6
Redundancy	4.3	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295 *	PEG 3000, calcium acetate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3000	10-15 (%(v/v))
2	1	reservoir	HEPES	0.1 (M)	pH7.5
3	1	reservoir	calcium acetate	0.15 (M)
4	1	drop	protein	22 (mg/ml)