6K1A

Crystal structure of EXD2 exonuclease domain soaked in Mn and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97960
Spacegroup name	P 21 21 21
Unit cell lengths	46.324, 73.664, 131.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.215 - 2.602
R-factor	0.2248
Rwork	0.223
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6k17
RMSD bond length	0.004
RMSD bond angle	0.967
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.115	0.492
Number of reflections	14310	689
<I/σ(I)>	12.73
Completeness [%]	99.3
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG 8000, 2-(N-morpholino)ethanesulfonic acid, Calcium acetate, Dithiothreitol, Manganese chloride, Magnesium chloride