3O0O

Thermotoga maritima Ribonucleotide Reductase, NrdJ, in complex with dTTP, GDP and Adenosylcobalamin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-24
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979162
Spacegroup name	C 1 2 1
Unit cell lengths	120.020, 124.230, 107.170
Unit cell angles	90.00, 102.57, 90.00

Refinement procedure

Resolution	46.937 - 1.900
R-factor	0.204
Rwork	0.202
R-free	0.23780
Structure solution method	Rigid body refinement
Starting model (for MR)	1xje
RMSD bond length	0.008
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.064	0.848
Number of reflections	119789
<I/σ(I)>		1.6
Completeness [%]	99.4	99.6
Redundancy	4.42	3.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	10% PEG8000, 0.1M sodium acetate, 0.1 M sodium chloride, 10mM DTT (dithiotreithol), 5% glycerol, crystallization geometry: 4 microL protein 11miligram/milliL + 2uL reservoir solution over 300 microL in 24-well plate. Crystals in 3-4 days, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K