3U7F

Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTCp)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	42.600, 62.330, 67.970
Unit cell angles	90.00, 91.81, 90.00

Refinement procedure

Resolution	45.928 - 1.800
R-factor	0.171
Rwork	0.169
R-free	0.21430
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.000	46.000	1.850
High resolution limit [Å]	1.800	10.000	1.800
Rmerge	0.127	0.055	0.620
Number of reflections	33004	207	2578
<I/σ(I)>	9.27	20.4	2.63
Completeness [%]	99.8	98.1	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	25% PEG 3350, pH 7, vapor diffusion, hanging drop, temperature 298K