4YIK

Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.915
Spacegroup name	P 43 21 2
Unit cell lengths	73.870, 73.870, 106.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.640 - 1.483
R-factor	0.154
Rwork	0.153
R-free	0.17580
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4l6a
RMSD bond length	0.017
RMSD bond angle	1.935
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.641	28.049	1.560
High resolution limit [Å]	1.483	4.690	1.483
Rmerge		0.024	0.745
Total number of observations		12765	54219
Number of reflections	49438
<I/σ(I)>	15.3	22.2	1
Completeness [%]	100.0	99.5	100
Redundancy	8	7.3	7.6

Crystallization Conditions

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