6FK5

Structure of 3' phosphatase NExo (D146N) from Neisseria bound to DNA substrate in presence of magnesium ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96860
Spacegroup name	P 43 21 2
Unit cell lengths	58.940, 58.940, 292.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.430 - 2.020
R-factor	0.2316
Rwork	0.230
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jc4
RMSD bond length	0.005
RMSD bond angle	0.874
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.430	2.080
High resolution limit [Å]	2.020	2.020
Rmerge	0.041	0.314
Rmeas	0.058	0.444
Number of reflections	35871
<I/σ(I)>	7.4
Completeness [%]	99.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	277	100 mM imidazole pH = 6.6, 55 mM (NH4)2SO4, 10% (w/v) PEG 8000, 16 - 19 % (v/v) MPD, 2 mM MgCl2