2JAW

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-27
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	73.604, 73.604, 106.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.860 - 1.950
R-factor	0.187
Rwork	0.185
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.426
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.060	0.360
Number of reflections	21939
<I/σ(I)>	20.5	4.8
Completeness [%]	99.4	100
Redundancy	5.7

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