4NFL

Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor NPB-T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-31
Detector	RAYONIX MX-225
Wavelength(s)	0.97826
Spacegroup name	P 43 21 2
Unit cell lengths	73.650, 73.650, 105.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 1.375
R-factor	0.1538
Rwork	0.153
R-free	0.17600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4l6a
RMSD bond length	0.016
RMSD bond angle	2.044
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.078		1.450
High resolution limit [Å]	1.375	4.080	1.375
Rmerge	0.041	0.026	0.674
Number of reflections	56940	2437	6176
<I/σ(I)>	26.11	72.85	1.91
Completeness [%]	90.9	94.4	61.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	20 mM potassium phosphate monobasic, 8% PEG8000, 10% glycerol, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 293K