2JAU

Crystal structure of D41N variant of human mitochondrial 5'(3')- deoxyribonucleotidase (mdN) in complex with 3'-azidothymidine 5'- monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-10
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	73.590, 73.590, 105.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.800
R-factor	0.183
Rwork	0.182
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.471
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.100
High resolution limit [Å]	1.800	1.800
Rmerge	0.090	0.290
Number of reflections	51199
<I/σ(I)>	8.73	3.73
Completeness [%]	99.6	100
Redundancy	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	20% PEG8000, 0.050 M POTASSIUM DIHYDROGEN PHOSPHATE, PH 4.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K