1R0I

cadmium-substituted rubredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	64.294, 64.294, 32.567
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.000 * - 1.500
R-factor	0.14624
Rwork	0.146
R-free	0.14600 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1iro
RMSD bond length	0.007
RMSD bond angle	1.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.500	1.500
Rmerge	0.111	0.120
Total number of observations	29513 *
Number of reflections	7544
<I/σ(I)>	14.5	1.5
Completeness [%]	93.9	66.4
Redundancy	3.9	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277 *	sodium acetate, ammonium sulfate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-20 (mg/ml)
2	1	reservoir	ammonium sulfate	50-67 (%sat)
3	1	reservoir	sodium acetate	0.05 (M)	pH4.0-4.6