1R0H

cobalt-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	64.247, 64.247, 32.854
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.14722
Rwork	0.145
R-free	0.19700 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1iro
RMSD bond length	0.011
RMSD bond angle	1.400 *
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	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.064	0.393
Total number of observations	16277 *
Number of reflections	5552
<I/σ(I)>	11.6	2.3
Completeness [%]	99.7	99.8
Redundancy	2.3	2.2

Crystallization Conditions

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