2BQ1

Ribonucleotide reductase class 1b holocomplex R1E,R2F from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-23
Detector	ADSC CCD
Spacegroup name	P 41 3 2
Unit cell lengths	270.372, 270.372, 270.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	182.570 - 3.990
R-factor	0.265
Rwork	0.262
R-free	0.31000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pem
RMSD bond length	0.007
RMSD bond angle	1.036
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BEAST
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	4.070
High resolution limit [Å]	4.000	4.000
Rmerge	0.150	0.390
Number of reflections	29196
<I/σ(I)>	13.5	4
Completeness [%]	99.8	98.8
Redundancy	15.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		1:1 MIX OF PROTEIN SOLUTION (8 MG/ML R1E, 4 MG/ML R2F, 1.5 MM DGTP, 1.5 MM ADP, 1.5 MM MGCL2 AND 1.5 MM HYDROXYUREA) AND RESERVOIR SOLUTION CONSISTING OF 100 MM NAHEPES PH 7.5 AND 1.8 M SODIUM FORMATE.