1CAD

X-RAY CRYSTAL STRUCTURES OF THE OXIDIZED AND REDUCED FORMS OF THE RUBREDOXIN FROM THE MARINE HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS FURIOSUS

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	33.800, 34.500, 43.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 1.800
R-factor	0.193
Rwork	0.193
RMSD bond length	0.012
RMSD bond angle	1.950
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	1.500 *
Rmerge	0.037 *
Total number of observations	45990 *
Number of reflections	7859 *
Completeness [%]	90.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	30 (%)
2	1	reservoir		2.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)
4	1	drop	protein	60 (mg/ml)
5	1	drop		0.3 (M)
6	1	drop	Tris-HCl	50 (mM)
7	1	drop		3.2 (M)
8	1	drop	Tris-HCl	0.15 (M)
9	1	drop			adding a minimum amount