3LJ9

X-ray structure of the iron superoxide dismutase from pseudoalteromonas haloplanktis in complex with sodium azide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-27
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	46.134, 103.527, 50.586
Unit cell angles	90.00, 108.29, 90.00

Refinement procedure

Resolution	33.440 - 2.100
R-factor	0.203
Rwork	0.203
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lio
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	33.440
High resolution limit [Å]	2.070
Rmerge	0.117
Number of reflections	24002
Completeness [%]	97.8
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.8M ammonium sulphate, 1.0M sodium chloride, 0.1M Hepes pH 7.5. The azide complex was prepared by soaking overnight in 2.5M ammonium sulphate, 0.1M TRIS/HCl pH 7.0., VAPOR DIFFUSION, HANGING DROP, temperature 293K