1IU5

X-ray Crystal Structure of the rubredoxin mutant from Pyrococcus Furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2001-05-29
Detector	MAC Science DIP-2000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	34.480, 35.700, 43.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.500
Rwork	0.187
R-free	0.20400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1brf
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.077	0.190
Total number of observations	38773 *
Number of reflections	8876
<I/σ(I)>	25.2
Completeness [%]	98.6	97.7
Redundancy	4.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		used macroseeding, Bau, R., (1998) J.BIOL.INORG.CHEM., 3, 484. *

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)