4R1R

RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH SUBSTRATE, GDP AND EFFECTOR DTTP FROM ESCHERICHIA COLI

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-03
Detector	RIGAKU
Spacegroup name	H 3 2
Unit cell lengths	224.020, 224.020, 335.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.200
R-factor	0.278
R-free	0.30800
Structure solution method	RIGID BODY
RMSD bond length	0.012 *
RMSD bond angle	2.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	3.400
High resolution limit [Å]	3.200	3.200
Rmerge	0.096 *	0.308
Number of reflections	53514
<I/σ(I)>	11.2	2.5
Completeness [%]	97.2	52.2 *
Redundancy	2.8	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		Uhlin, U., (1993) FEBS Lett., 336, 148. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	lithium sulphate	17 (%)
2	1	reservoir	magnesium sulphate	10 (mM)
3	1	reservoir	sodium citrate	25 (mM)	pH6.0
4	1	drop	protein	30 (mg/ml)
5	1	drop	peptide solution	15 (mg/ml)