6FK4

Structure of 3' phosphatase NExo (WT) from Neisseria bound to DNA substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91730
Spacegroup name	P 43 21 2
Unit cell lengths	59.156, 59.156, 292.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.566 - 2.297
R-factor	0.2001
Rwork	0.199
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jc4
RMSD bond length	0.003
RMSD bond angle	0.616
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.680	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.078	0.582
Rmeas	0.086	0.630
Rpim		0.239
Number of reflections	15625
<I/σ(I)>	13.79	2.2
Completeness [%]	99.0	96.9
Redundancy	6.3	6.8
CC(1/2)	0.998	0.950

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,