1PEQ

Ribonucleotide Reductase Protein R1E 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	2002-07-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9393
Spacegroup name	P 43 21 2
Unit cell lengths	99.144, 99.144, 289.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.800
R-factor	0.2166
Rwork	0.215
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	poly-alanin model of ribonucleotide reductase protein R1 from E.coli
RMSD bond length	0.023
RMSD bond angle	1.931
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.079	0.286
Number of reflections	36371
<I/σ(I)>	18.3	5.5
Completeness [%]	99.1	99.1
Redundancy	7.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	288	sodium malonate, magnesium chloride, DTT, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 288K