1BQ8

Rubredoxin (Methionine Mutant) from Pyrococcus Furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	123
Detector technology	AREA DETECTOR
Detector	SIEMENS X-1000
Spacegroup name	P 21 21 21
Unit cell lengths	33.823, 34.705, 43.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.100
R-factor	0.119
R-free	0.14900
Structure solution method	OTHER
RMSD bond length	0.016
RMSD bond angle	0.016
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.200
High resolution limit [Å]	1.100	1.100
Rmerge	0.056	0.125
Total number of observations	45654 *
Number of reflections	20698 *
Completeness [%]	96.2	87.2
Redundancy	2.2	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop		0.3 (M)
4	1	reservoir	sodium potassium phosphate	3.6 (M)