3O0N

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.931
Spacegroup name	C 1 2 1
Unit cell lengths	119.010, 123.820, 106.440
Unit cell angles	90.00, 103.10, 90.00

Refinement procedure

Resolution	19.970 - 1.950
R-factor	0.2049
Rwork	0.203
R-free	0.24930
Structure solution method	RIGID BODY REFINEMENT
Starting model (for MR)	1xje
RMSD bond length	0.007
RMSD bond angle	1.081
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]	20.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.092	0.088
Number of reflections	108100
<I/σ(I)>		0.0159
Completeness [%]	99.0
Redundancy	4.45	3.8

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