1R0G

mercury-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	64.323, 64.323, 32.607
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.000 * - 1.600
R-factor	0.15285
Rwork	0.151
R-free	0.18900 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1iro
RMSD bond length	0.008
RMSD bond angle	1.300 *
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	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.110	0.271
Total number of observations	16227 *
Number of reflections	6532
<I/σ(I)>	5.8	2.4
Completeness [%]	98.5	90
Redundancy	2.1	1.7

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